data_2m3b_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 2m3b _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' HH ' HH22 ' A' ' 13' ' ' ARG . 88.7 t80 -62.85 -40.74 98.4 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.784 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.86 -43.11 99.5 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.086 0.866 . . . . 0.0 109.587 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -62.42 -45.57 92.48 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.39 -42.96 99.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.027 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -64.59 -40.07 94.86 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.101 0.875 . . . . 0.0 110.713 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.5 93.87 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.89 -42.78 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 124.149 0.906 . . . . 0.0 108.896 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.485 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.9 ttp180 -59.34 -42.1 90.73 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.541 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.405 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.191 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -82.85 -58.72 2.76 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' N ' HD22 ' E' ' 34' ' ' ASN . 58.7 mt -61.92 -47.1 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 118.923 -0.56 . . . . 0.0 112.503 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.443 HD22 ' N ' ' B' ' 33' ' ' ILE . 32.8 m120 -62.76 -41.41 99.21 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.306 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -57.01 -45.72 82.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 123.289 0.368 . . . . 0.0 110.053 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -51.41 61.55 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.407 1.067 . . . . 0.0 110.182 179.068 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.64 -44.83 90.17 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 123.606 0.566 . . . . 0.0 111.16 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.28 -42.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.464 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -63.27 -42.73 99.17 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 HG22 ' A' ' 40' ' ' ILE . 1.2 mm -63.87 -43.99 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 123.681 0.613 . . . . 0.0 109.533 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.7 m -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.47 -39.06 93.45 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.549 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -73.31 -25.99 60.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.243 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.56 -36.68 65.64 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.5 mt -61.55 -41.14 89.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 C--O 1.238 0.464 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.478 ' HH ' HH22 ' B' ' 13' ' ' ARG . 88.3 t80 -62.85 -40.71 98.29 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.047 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.03 -43.29 99.16 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.287 0.992 . . . . 0.0 109.552 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.16 -45.33 93.89 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.52 -42.99 99.88 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.172 0.92 . . . . 0.0 109.864 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -40.16 95.04 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.062 0.851 . . . . 0.0 110.609 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.49 94.48 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.871 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.91 -42.69 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.859 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.478 HH22 ' HH ' ' B' ' 6' ' ' TYR . 50.0 ttp180 -59.4 -42.2 91.19 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.36 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.406 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.392 0 O-C-N 123.904 0.753 . . . . 0.0 110.197 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -80.94 -59.42 2.68 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.443 ' N ' HD22 ' A' ' 34' ' ' ASN . 61.9 mt -62.07 -48.08 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -61.97 -40.87 97.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.291 0.496 . . . . 0.0 110.623 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.65 -46.58 84.03 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 123.724 0.64 . . . . 0.0 109.797 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.03 -37.21 81.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.944 0.777 . . . . 0.0 112.307 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.79 -46.6 71.5 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.669 0.747 . . . . 0.0 109.727 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.32 -42.19 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.824 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.1 -42.85 99.63 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.53 0.518 . . . . 0.0 110.052 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.79 -43.29 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 80.0 m -58.01 -48.66 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.939 0.774 . . . . 0.0 109.795 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.31 -39.98 96.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.465 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.84 -25.05 60.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.14 -36.06 64.13 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.54 -41.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.349 0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.459 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.458 ' HH ' HH22 ' C' ' 13' ' ' ARG . 89.1 t80 -63.78 -40.23 96.18 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.811 0.694 . . . . 0.0 109.743 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.46 -42.13 99.26 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.165 0.916 . . . . 0.0 109.574 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.93 -46.29 88.49 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.77 -42.3 99.62 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 124.263 0.977 . . . . 0.0 109.91 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.433 ' HG ' ' NH2' ' C' ' 13' ' ' ARG . 42.0 t -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.019 0.928 . . . . 0.0 110.421 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.4 90.87 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.101 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -42.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.157 0.911 . . . . 0.0 109.041 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.458 HH22 ' HH ' ' C' ' 6' ' ' TYR . 48.7 ttp180 -59.58 -41.71 90.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.397 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.435 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.41 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.306 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 119.948 -0.072 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -82.04 -59.23 2.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -46.78 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.428 HD22 ' N ' ' D' ' 33' ' ' ILE . 32.3 m120 -60.91 -41.46 96.15 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.987 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.75 -45.53 89.5 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 123.437 0.461 . . . . 0.0 109.842 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.81 -53.29 56.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.318 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.7 mt -53.3 -74.47 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -32.73 -45.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 124.746 1.279 . . . . 0.0 111.666 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.95 -47.11 86.36 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.456 HG22 HD12 ' C' ' 40' ' ' ILE . 49.4 mt -64.31 -41.93 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.122 0.889 . . . . 0.0 109.699 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 57.8 m -55.43 -47.95 75.18 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.08 -37.81 88.78 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.546 1.154 . . . . 0.0 110.742 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.59 -26.86 61.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.531 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -38.01 70.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.4 -41.12 88.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.94 -42.92 99.15 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.705 0.628 . . . . 0.0 109.409 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.171 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.484 ' HH ' HH22 ' D' ' 13' ' ' ARG . 87.8 t80 -63.03 -40.49 97.9 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 123.927 0.767 . . . . 0.0 109.778 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.09 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.765 0.665 . . . . 0.0 109.473 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -61.87 -45.66 92.79 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.42 -43.06 99.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.961 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.38 -40.21 95.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.077 0.861 . . . . 0.0 110.727 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.3 93.77 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.729 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.95 -42.74 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.845 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.484 HH22 ' HH ' ' D' ' 6' ' ' TYR . 50.0 ttp180 -59.16 -42.08 89.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.596 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.242 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -81.29 -59.54 2.6 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.428 ' N ' HD22 ' C' ' 34' ' ' ASN . 60.7 mt -62.21 -47.41 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.543 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -61.92 -41.23 97.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.595 0.634 . . . . 0.0 110.517 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.36 -46.07 83.73 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -68.3 -38.24 81.42 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.015 0.822 . . . . 0.0 111.908 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 42.3 mt -67.39 -44.92 77.72 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.858 0.837 . . . . 0.0 110.228 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.53 -42.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.588 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -60.56 -44.65 95.91 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.434 HG22 HD12 ' D' ' 40' ' ' ILE . 1.1 mm -64.04 -42.96 97.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.946 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.9 m -58.28 -48.25 81.06 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 124.034 0.833 . . . . 0.0 109.379 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.51 -39.7 95.12 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.534 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.6 -25.84 60.52 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.39 -37.17 68.79 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.99 -41.35 90.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.27 -41.89 97.71 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.539 178.102 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . 0.484 ' HH ' HH22 ' E' ' 13' ' ' ARG . 88.1 t80 -63.41 -40.78 98.11 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 123.864 0.728 . . . . 0.0 109.916 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.665 0.603 . . . . 0.0 109.513 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.74 -45.73 91.36 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.33 -43.03 99.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.911 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.47 -39.91 94.71 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.641 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.29 93.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -65.0 -42.67 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 124.094 0.871 . . . . 0.0 108.871 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.484 HH22 ' HH ' ' E' ' 6' ' ' TYR . 50.0 ttp180 -59.45 -42.13 91.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.47 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.189 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 119.821 -0.133 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -82.09 -60.02 2.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.426 HD13 HG22 ' E' ' 33' ' ' ILE . 56.9 mt -61.51 -47.58 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' ' 33' ' ' ILE . 32.8 m120 -61.72 -40.71 96.03 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.81 -45.4 86.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.946 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.87 -52.94 57.71 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 122.861 0.465 . . . . 0.0 110.36 178.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.37 -43.98 92.8 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.796 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.67 -43.4 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.81 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.461 HD12 HG22 ' E' ' 40' ' ' ILE . 53.7 mt -66.32 -42.12 90.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 123.437 0.461 . . . . 0.0 110.235 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.3 m -56.34 -48.68 76.28 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.09 -39.77 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.341 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tp -65.16 -50.72 64.89 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.05 -35.67 62.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.68 0.392 . . . . 0.0 110.029 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.23 -42.14 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.57 -38.44 91.0 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.531 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.474 ' HH ' HH22 ' A' ' 13' ' ' ARG . 89.7 t80 -61.8 -40.92 96.9 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.908 0.755 . . . . 0.0 109.189 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -43.3 99.11 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.981 0.8 . . . . 0.0 109.024 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 m -62.4 -46.3 89.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.194 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.34 -41.63 98.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.316 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.85 -41.31 97.83 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.915 0.76 . . . . 0.0 110.305 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.19 94.17 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.63 -42.46 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.812 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.474 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.4 ttp180 -61.5 -40.05 93.19 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.177 0.923 . . . . 0.0 110.224 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.412 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.704 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.23 0.06 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.57 -49.71 70.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.325 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.97 -43.93 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.14 -40.78 98.57 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 123.652 0.595 . . . . 0.0 109.909 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -54.41 -48.04 72.07 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.589 0.555 . . . . 0.0 111.127 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.8 OUTLIER -64.93 -49.61 69.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 123.295 0.372 . . . . 0.0 110.286 179.31 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.15 -42.58 91.04 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.107 0.88 . . . . 0.0 110.471 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.86 -42.32 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 124.442 1.089 . . . . 0.0 108.978 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.7 -43.0 99.69 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.724 0.64 . . . . 0.0 109.333 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.65 -42.34 94.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.164 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 74.1 m -60.49 -48.55 81.26 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 124.304 1.002 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.49 -40.84 96.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.609 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.2 tp -78.42 -20.45 51.07 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.705 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -33.03 70.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.353 0.978 . . . . 0.0 109.147 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.39 -42.75 97.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.302 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 CA--C 1.538 0.504 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.7 178.015 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.502 ' HH ' HH22 ' B' ' 13' ' ' ARG . 89.8 t80 -61.84 -41.24 97.56 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.153 0.908 . . . . 0.0 109.184 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -42.78 99.48 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.003 0.815 . . . . 0.0 109.023 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -62.4 -46.7 87.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.264 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -62.31 -41.62 98.69 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.334 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.12 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.3 88.79 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.274 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.22 -44.66 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.502 HH22 ' HH ' ' B' ' 6' ' ' TYR . 10.3 ptt180 -71.4 -23.41 61.87 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.492 0.495 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.416 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.225 -0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.75 -49.33 71.19 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.929 0.768 . . . . 0.0 112.058 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.46 -43.96 87.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 123.449 0.468 . . . . 0.0 110.386 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -62.99 -40.6 98.25 Favored 'General case' 0 C--O 1.209 -1.056 0 O-C-N 123.588 0.555 . . . . 0.0 109.887 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -54.73 -49.3 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.279 0.362 . . . . 0.0 111.106 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -64.4 -47.94 77.3 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.58 0.55 . . . . 0.0 109.997 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -58.36 -44.58 88.87 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 123.185 0.594 . . . . 0.0 110.125 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.66 -42.9 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.584 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.55 -42.78 99.34 Favored 'General case' 0 C--O 1.25 1.086 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.05 -42.69 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 71.1 m -60.94 -49.51 77.15 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 124.163 0.914 . . . . 0.0 110.185 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.04 -42.28 94.07 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 124.292 0.995 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 tp -70.37 -47.72 59.64 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.269 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -34.97 4.52 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.105 0.866 . . . . 0.0 111.77 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.43 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.429 177.328 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.457 ' HH ' HH22 ' C' ' 13' ' ' ARG . 89.6 t80 -61.91 -40.89 97.0 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.919 0.762 . . . . 0.0 109.26 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -43.02 99.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.993 0.808 . . . . 0.0 109.057 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -62.45 -46.38 88.77 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.3 -41.77 98.8 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.246 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.92 0.763 . . . . 0.0 110.432 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.14 94.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.8 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.6 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.878 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.457 HH22 ' HH ' ' C' ' 6' ' ' TYR . 49.5 ttp180 -61.35 -40.1 93.0 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.268 0.98 . . . . 0.0 110.218 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.421 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.646 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.06 -49.47 72.19 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.089 0.868 . . . . 0.0 112.331 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -67.01 -43.77 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.341 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.8 -40.23 96.71 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.605 0.566 . . . . 0.0 109.608 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.03 -48.24 76.35 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.281 0.363 . . . . 0.0 111.212 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -63.27 -50.85 68.53 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' C' ' 40' ' ' ILE . 67.1 mt -52.8 -72.41 0.05 Allowed 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -34.12 -44.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.22 -45.85 91.48 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 110.369 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' LEU . 25.8 mm -62.58 -42.4 95.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.4 m -59.41 -49.58 77.27 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.509 1.13 . . . . 0.0 109.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.82 -40.21 91.91 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.011 0.82 . . . . 0.0 109.837 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 tp -77.84 -20.23 53.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.9 0.75 . . . . 0.0 110.586 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -33.31 69.69 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 119.359 0.981 . . . . 0.0 108.848 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.65 -42.71 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.59 -38.53 91.32 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.792 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.786 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.457 ' HH ' HH22 ' D' ' 13' ' ' ARG . 89.7 t80 -61.72 -40.79 96.29 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.992 0.807 . . . . 0.0 109.232 177.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -43.2 99.32 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -62.49 -46.17 89.69 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.44 -41.63 98.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.284 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.84 -41.29 97.85 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.927 0.767 . . . . 0.0 110.425 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.08 94.42 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.736 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.83 -42.37 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.892 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.457 HH22 ' HH ' ' D' ' 6' ' ' TYR . 49.5 ttp180 -61.5 -39.95 92.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.167 0.917 . . . . 0.0 110.155 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.407 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.643 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.458 -0.05 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.93 -50.11 69.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.026 0.829 . . . . 0.0 112.326 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.83 -43.71 89.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.22 -40.69 98.18 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 123.615 0.572 . . . . 0.0 110.17 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.52 -48.9 71.38 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.736 0.647 . . . . 0.0 111.304 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.57 -48.87 73.37 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 123.954 0.784 . . . . 0.0 110.567 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.92 -43.33 86.19 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.729 0.643 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.41 -43.03 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 124.949 1.406 . . . . 0.0 109.019 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.93 -43.14 99.46 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.65 -42.86 97.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 82.8 m -61.63 -48.45 80.83 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.987 0.805 . . . . 0.0 110.325 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -60.64 -42.41 96.89 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 124.16 0.913 . . . . 0.0 109.696 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.67 -48.25 60.44 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -34.95 3.54 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.068 0.849 . . . . 0.0 112.123 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.58 -44.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -66.31 -35.59 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.419 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.364 1.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.324 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . 0.47 ' HH ' HH22 ' E' ' 13' ' ' ARG . 89.7 t80 -61.85 -40.77 96.49 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 124.051 0.844 . . . . 0.0 109.215 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -43.13 99.47 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.984 0.802 . . . . 0.0 108.987 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 14.0 m -62.64 -46.14 89.62 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.315 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.37 -41.75 98.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.231 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.86 -41.28 97.82 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.864 0.728 . . . . 0.0 110.361 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.15 94.34 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.73 -42.38 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.878 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.47 HH22 ' HH ' ' E' ' 6' ' ' TYR . 49.5 ttp180 -61.62 -39.96 93.14 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.23 0.956 . . . . 0.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.41 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.584 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--O 1.223 -0.339 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.54 -49.63 70.48 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.159 0.912 . . . . 0.0 112.396 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.05 -44.1 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 123.43 0.457 . . . . 0.0 110.353 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -63.05 -40.57 98.11 Favored 'General case' 0 C--O 1.2 -1.507 0 O-C-N 123.487 0.492 . . . . 0.0 109.811 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -54.15 -48.8 70.45 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.283 0.365 . . . . 0.0 111.181 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.74 -48.93 72.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.045 0.45 . . . . 0.0 110.24 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.9 -42.74 94.52 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.76 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.33 -42.76 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 124.718 1.261 . . . . 0.0 108.485 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.7 -43.79 98.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.05 -42.18 94.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 123.707 0.63 . . . . 0.0 109.513 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 75.1 m -60.76 -48.37 82.09 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.989 0.806 . . . . 0.0 110.288 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.62 -42.17 96.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 124.291 0.995 . . . . 0.0 109.846 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.38 -48.44 56.26 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.21 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.35 -34.91 3.24 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.911 0.778 . . . . 0.0 111.705 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.47 -44.04 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -35.66 80.83 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.556 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.338 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 123.907 0.754 . . . . 0.0 109.59 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.87 -42.59 98.19 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.883 0.739 . . . . 0.0 109.644 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.8 m -62.62 -46.57 87.66 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -61.6 -43.76 98.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.774 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -65.59 -38.87 90.75 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.985 0.803 . . . . 0.0 110.426 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.73 93.09 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.841 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.97 -42.82 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.142 0.901 . . . . 0.0 109.047 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -58.47 -42.83 88.38 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.273 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.952 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.38 -56.89 6.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 33' ' ' ILE . 68.1 mt -65.22 -44.83 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.017 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -60.63 -41.64 95.26 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -58.84 -46.25 88.14 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.399 0.437 . . . . 0.0 110.865 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -68.74 -38.93 80.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.614 0.572 . . . . 0.0 111.26 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.43 -44.31 91.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.044 0.926 . . . . 0.0 108.711 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.41 -39.82 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 112.28 -2.237 . . . . 0.0 107.664 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.23 -43.38 98.22 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.464 HD13 ' SG ' ' E' ' 41' ' ' CYS . 31.7 mm -62.43 -43.5 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 59.8 m -55.66 -49.17 73.62 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.475 0.655 . . . . 0.0 109.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.31 -39.78 92.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.045 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.9 -28.13 57.94 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.379 0.425 . . . . 0.0 111.741 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.49 -38.26 86.88 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.74 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.547 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.415 ' HH ' HH22 ' B' ' 13' ' ' ARG . 85.8 t80 -64.16 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.642 0.589 . . . . 0.0 109.693 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.18 -42.51 98.7 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.78 0.675 . . . . 0.0 109.777 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.73 -45.91 90.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.16 -43.65 98.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.79 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -65.46 -38.49 90.0 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.058 0.849 . . . . 0.0 110.563 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.9 92.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.723 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.93 -42.8 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 124.135 0.897 . . . . 0.0 108.972 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.415 HH22 ' HH ' ' B' ' 6' ' ' TYR . 50.7 ttp180 -58.45 -42.72 88.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.399 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.412 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.081 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -69.06 -56.51 7.51 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -65.45 -44.44 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.371 0.419 . . . . 0.0 111.107 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -60.71 -42.17 96.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -58.61 -46.35 87.21 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.57 0.543 . . . . 0.0 110.463 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.8 t -68.52 -39.15 81.33 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.515 0.51 . . . . 0.0 111.542 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.57 -43.61 93.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.049 0.928 . . . . 0.0 108.79 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.3 -39.54 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 112.53 -2.123 . . . . 0.0 107.475 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.21 -43.01 99.33 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.433 HD13 ' SG ' ' A' ' 41' ' ' CYS . 25.7 mm -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 60.6 m -55.95 -49.5 73.37 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.228 0.537 . . . . 0.0 109.831 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.97 -39.84 94.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.197 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.8 -27.87 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.894 0.478 . . . . 0.0 111.717 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.2 mt -67.1 -38.34 85.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.74 -42.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 80.2 m . . . . . 0 C--N 1.346 0.454 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.285 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.408 ' HH ' HH22 ' C' ' 13' ' ' ARG . 84.8 t80 -64.47 -41.09 96.71 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.64 0.587 . . . . 0.0 109.728 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.96 -42.67 98.72 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.765 0.666 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.7 m -62.5 -45.99 90.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.14 -43.62 98.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.924 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.8 m -65.4 -38.68 90.71 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.511 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.96 92.57 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.765 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.84 -42.9 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.138 0.898 . . . . 0.0 108.988 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.419 HH21 ' NH2' ' C' ' 14' ' ' ARG . 50.8 ttp180 -58.61 -42.51 88.3 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.301 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.419 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.453 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.009 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.44 -56.84 6.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.09 -44.61 95.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 119.332 -0.366 . . . . 0.0 110.812 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -61.08 -41.83 97.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.456 -0.498 . . . . 0.0 109.8 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -57.22 -45.74 83.57 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.052 0.22 . . . . 0.0 110.442 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -66.53 -51.27 58.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.451 0.469 . . . . 0.0 110.306 179.113 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.02 -44.12 74.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 123.707 0.63 . . . . 0.0 109.387 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.51 -42.3 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.457 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.0 mt -62.66 -41.73 99.23 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.459 HD13 ' SG ' ' B' ' 41' ' ' CYS . 37.8 mm -63.02 -43.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.8 m -56.47 -48.74 76.46 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.447 0.467 . . . . 0.0 109.874 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.96 -40.26 94.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.004 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.1 -27.92 60.06 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.929 0.492 . . . . 0.0 111.389 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.43 -38.13 84.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.01 -42.46 95.76 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -62.09 -36.98 83.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.715 0.634 . . . . 0.0 109.314 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--N 1.353 0.749 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.466 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -64.43 -40.64 96.15 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 123.875 0.734 . . . . 0.0 109.659 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.11 -41.68 97.14 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.588 0.555 . . . . 0.0 109.985 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 21.7 m -63.1 -46.91 85.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -61.27 -43.71 98.43 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.915 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -38.82 90.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.573 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.76 92.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.843 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.95 -42.72 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 124.063 0.852 . . . . 0.0 109.005 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.425 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.8 ttp180 -58.49 -42.92 88.7 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.346 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.425 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.132 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.64 -56.75 7.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.16 -44.82 95.34 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.734 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -61.12 -41.62 97.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.651 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.49 -45.27 85.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.191 0.307 . . . . 0.0 110.517 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.3 t -67.19 -49.87 63.01 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.94 -43.65 77.63 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.2 -41.37 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 113.811 -1.54 . . . . 0.0 107.731 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 mt -62.55 -42.11 99.33 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.447 HD13 ' SG ' ' C' ' 41' ' ' CYS . 35.3 mm -63.36 -43.8 98.72 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 60.0 m -55.3 -49.51 71.95 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.59 -41.86 95.96 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.995 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.11 -51.5 60.97 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.27 -37.71 24.6 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.055 0.542 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.14 -43.72 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.52 -34.68 78.79 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--O 1.212 -0.881 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . 0.402 ' HH ' HH22 ' E' ' 13' ' ' ARG . 85.0 t80 -64.56 -41.34 96.37 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.702 0.626 . . . . 0.0 109.741 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.78 -42.59 97.83 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.005 0.816 . . . . 0.0 109.712 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.67 -45.75 91.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -62.3 -43.48 98.73 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.919 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.45 -38.71 90.64 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.467 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.93 92.94 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.564 0.54 . . . . 0.0 109.811 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.1 -42.67 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.19 0.931 . . . . 0.0 108.97 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.415 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -58.49 -42.91 88.64 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.268 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.415 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.168 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.234 0.241 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.07 -56.99 6.86 Favored 'General case' 0 C--O 1.239 0.553 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 70.1 mt -65.46 -45.0 94.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.801 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.617 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.33 -46.25 89.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.418 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.8 t -68.28 -36.33 79.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.985 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' E' ' 40' ' ' ILE . 19.5 mt -62.63 -67.97 0.37 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.982 -2.97 . . . . 0.0 102.982 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 57.9 mt -37.64 -38.9 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.977 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.7 -46.34 85.94 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 122.165 -0.334 . . . . 0.0 110.609 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.463 HD13 ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.21 -42.77 94.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 36.4 m -55.85 -48.99 74.53 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.06 -40.88 95.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.297 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -65.35 -52.26 54.97 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 27.7 mt -48.34 -37.57 16.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.932 0.493 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.51 -44.1 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.7 -34.78 78.62 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.781 0.676 . . . . 0.0 109.538 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.357 0.925 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.591 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.71 -40.16 94.89 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.756 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.99 -42.59 98.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.651 0.594 . . . . 0.0 109.973 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.86 -47.43 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.95 -43.99 97.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.792 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.26 -39.83 94.74 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.067 0.854 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.91 90.8 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.115 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.32 -42.64 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HE ' HH12 ' A' ' 14' ' ' ARG . 51.3 ttp180 -60.77 -41.82 96.26 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.008 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.441 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.9 tp . . . . . 0 C--O 1.235 0.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.31 -56.09 4.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' N ' HD22 ' E' ' 34' ' ' ASN . 63.7 mt -62.3 -45.75 98.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.656 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.444 HD22 ' N ' ' B' ' 33' ' ' ILE . 31.2 m120 -63.07 -40.77 98.66 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.384 0.427 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -57.52 -45.84 84.53 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -66.02 -49.12 68.88 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 123.399 0.437 . . . . 0.0 110.061 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.906 0.754 . . . . 0.0 111.266 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.67 -43.1 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.17 -42.52 99.34 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.785 0.678 . . . . 0.0 109.47 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.56 -43.75 98.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 80.1 m -56.97 -44.89 83.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.02 -33.94 76.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.09 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -74.91 -30.46 61.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.943 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.63 -39.52 91.55 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.3 -43.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m . . . . . 0 C--N 1.345 0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.937 177.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.47 -40.12 95.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.744 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.23 -42.52 98.75 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.663 0.602 . . . . 0.0 109.803 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.05 -47.54 84.25 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.75 -44.23 97.31 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.958 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -63.98 -40.01 95.42 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.85 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -41.66 90.93 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.273 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.4 -42.63 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' B' ' 14' ' ' ARG . 51.2 ttp180 -60.76 -41.95 96.49 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.189 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.402 0 O-C-N 123.892 0.745 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.5 tp . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.51 -56.31 4.11 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.444 ' N ' HD22 ' A' ' 34' ' ' ASN . 63.6 mt -62.43 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-O 119.117 -0.468 . . . . 0.0 111.933 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.443 HD22 ' N ' ' C' ' 33' ' ' ILE . 30.7 m120 -62.83 -40.16 96.55 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 123.626 0.579 . . . . 0.0 110.255 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.91 -47.42 85.09 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 123.545 0.528 . . . . 0.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -66.96 -34.59 78.1 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.834 0.709 . . . . 0.0 111.571 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 40' ' ' ILE . 60.9 mt -67.92 -71.36 0.21 Allowed 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -33.95 -43.17 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 123.965 0.906 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.32 -47.47 82.11 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.386 0.274 . . . . 0.0 110.283 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' LEU . 8.2 mm -61.89 -42.93 96.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 124.097 0.873 . . . . 0.0 108.961 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.95 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.0 m -56.46 -44.66 80.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.348 0.594 . . . . 0.0 109.726 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.4 -32.12 72.81 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.776 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.07 -29.97 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.71 -39.53 93.81 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.1 -43.21 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.348 0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.707 178.122 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -63.99 -39.96 95.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.829 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.3 -42.93 99.48 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.62 0.575 . . . . 0.0 109.753 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.2 -47.35 84.86 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.71 -44.22 97.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.101 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -64.09 -39.81 94.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.883 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.71 90.77 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.418 0.449 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.51 -42.57 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.442 ' HE ' HH12 ' C' ' 14' ' ' ARG . 51.3 ttp180 -61.06 -41.88 97.44 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.03 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.442 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 O-C-N 123.978 0.799 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -81.63 -55.91 4.35 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.443 ' N ' HD22 ' B' ' 34' ' ' ASN . 65.1 mt -62.51 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.434 HD22 ' N ' ' D' ' 33' ' ' ILE . 31.8 m120 -63.33 -41.14 98.87 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.275 0.36 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.14 -46.76 82.42 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.499 0.5 . . . . 0.0 110.535 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.95 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -49.46 70.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.315 179.127 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.712 0.633 . . . . 0.0 109.919 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.47 -43.98 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 124.145 0.903 . . . . 0.0 108.915 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.27 -44.17 99.04 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 73.4 m -56.98 -44.79 83.03 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.876 0.735 . . . . 0.0 110.329 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.07 -33.41 75.73 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.977 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.21 -30.52 58.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.75 -39.31 93.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.31 -43.14 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -64.85 -37.17 86.73 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.926 0.766 . . . . 0.0 109.659 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.107 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -64.14 -40.34 95.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.736 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.36 -42.53 98.85 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.056 0.847 . . . . 0.0 109.729 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -61.76 -47.69 84.08 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.61 -43.99 97.83 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.152 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.8 m -64.25 -39.89 94.88 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.936 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.91 91.1 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.448 0.467 . . . . 0.0 110.233 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.26 -42.8 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.444 ' HE ' HH12 ' D' ' 14' ' ' ARG . 51.4 ttp180 -60.7 -41.85 96.0 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.997 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.444 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.443 0 O-C-N 123.92 0.762 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.18 -55.8 4.5 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.434 ' N ' HD22 ' C' ' 34' ' ' ASN . 61.2 mt -63.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.839 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.436 HD22 ' N ' ' E' ' 33' ' ' ILE . 31.6 m120 -63.88 -41.01 97.84 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 119.061 -0.495 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.87 -46.59 81.71 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.916 0.76 . . . . 0.0 110.142 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -64.52 -49.78 69.95 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.25 0.344 . . . . 0.0 110.724 178.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.32 -43.18 96.61 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.734 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.98 -43.22 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 124.252 0.97 . . . . 0.0 109.122 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.97 -42.16 98.82 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.43 -43.67 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.1 m -57.69 -46.1 84.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.5 -37.8 88.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.655 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.28 -52.03 51.56 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.85 -0.595 . . . . 0.0 109.546 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -48.82 -38.88 23.43 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.684 0.675 . . . . 0.0 110.686 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.58 -44.4 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.63 -34.15 77.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.986 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.35 0.607 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.798 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.53 -40.17 95.12 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.87 0.731 . . . . 0.0 109.839 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.98 -42.52 98.52 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.636 0.585 . . . . 0.0 109.975 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -62.15 -47.58 83.93 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -61.79 -43.89 97.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.931 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -39.8 94.63 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.016 0.823 . . . . 0.0 110.829 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.75 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.42 0.45 . . . . 0.0 110.123 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.38 -42.9 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.439 ' HE ' HH12 ' E' ' 14' ' ' ARG . 51.4 ttp180 -60.57 -41.86 95.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.969 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.439 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.52 0 O-C-N 123.839 0.712 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -81.56 -55.97 4.33 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.436 ' N ' HD22 ' D' ' 34' ' ' ASN . 64.0 mt -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.711 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 33' ' ' ILE . 31.0 m120 -63.23 -40.94 98.88 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.621 0.576 . . . . 0.0 110.518 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.65 -46.01 84.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.218 0.324 . . . . 0.0 110.644 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.45 -49.2 72.4 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.583 0.552 . . . . 0.0 110.595 178.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.07 -42.41 98.45 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.625 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.58 -44.51 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.96 -42.22 98.87 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.215 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mm -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.07 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 70.8 m -58.59 -45.09 89.84 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.07 -38.39 90.91 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.363 1.039 . . . . 0.0 109.53 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.16 -51.35 61.68 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -49.75 -38.91 35.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 118.503 0.592 . . . . 0.0 110.696 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.84 -44.33 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.33 -34.2 77.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.153 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--O 1.225 -0.223 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.87 -40.58 93.53 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 124.026 0.828 . . . . 0.0 109.208 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -43.77 98.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 m -62.7 -45.99 90.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.442 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.39 -42.38 99.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.294 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.19 -40.82 98.59 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.938 0.774 . . . . 0.0 110.424 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.85 91.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.8 ttp180 -58.41 -41.53 85.17 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.604 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.423 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.283 0 O-C-N 123.754 0.659 . . . . 0.0 109.755 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 111.475 0.176 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.85 -52.65 41.07 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 123.892 0.745 . . . . 0.0 112.61 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.23 -45.53 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 122.947 0.154 . . . . 0.0 110.95 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.93 -42.79 99.92 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.02 -48.23 82.33 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.727 0.642 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.74 -33.79 76.68 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.689 0.618 . . . . 0.0 111.731 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ILE . 45.1 mt -67.56 -69.12 0.33 Allowed 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.6 mt -33.14 -41.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 124.926 1.391 . . . . 0.0 110.369 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.98 -45.09 94.09 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.654 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 9.2 mm -62.77 -42.72 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 35.5 m -54.69 -49.47 70.59 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.189 0.93 . . . . 0.0 109.023 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.7 -37.9 87.74 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.683 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.63 -27.9 58.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.702 0.401 . . . . 0.0 111.522 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.11 -37.9 75.47 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.27 -42.17 95.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--N 1.351 0.639 0 O-C-N 123.53 0.519 . . . . 0.0 109.916 178.503 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--O 1.226 -0.157 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.83 -40.49 92.95 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.744 0.652 . . . . 0.0 109.288 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.83 98.06 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -62.7 -46.0 90.18 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.359 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.48 -42.44 99.49 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.261 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -62.95 -40.67 98.36 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.915 0.759 . . . . 0.0 110.359 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.6 92.02 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.575 0.547 . . . . 0.0 109.743 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.77 -42.7 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.182 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.416 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.8 ttp180 -58.27 -41.8 85.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.518 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.416 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.5 0 O-C-N 123.946 0.779 . . . . 0.0 109.618 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.82 -52.23 46.26 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.34 -45.25 96.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 123.533 0.521 . . . . 0.0 110.848 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.26 -41.41 96.96 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 123.334 0.396 . . . . 0.0 110.663 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -57.51 -47.94 80.61 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 111.028 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -62.97 -51.79 65.49 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.713 0.633 . . . . 0.0 109.858 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.52 -43.13 79.51 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.334 1.021 . . . . 0.0 110.872 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.72 -42.24 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 125.562 1.788 . . . . 0.0 108.474 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 58.2 mt -64.24 -41.31 97.05 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.483 HD13 ' SG ' ' A' ' 41' ' ' CYS . 31.6 mm -62.1 -44.01 98.47 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 64.5 m -56.41 -50.82 70.51 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.936 0.773 . . . . 0.0 109.404 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.36 -39.12 93.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.684 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.41 -28.11 59.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.619 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.92 -37.69 76.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.24 -42.04 94.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.473 0.716 0 O-C-N 123.509 0.506 . . . . 0.0 110.067 178.366 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.66 -40.41 91.97 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.761 0.663 . . . . 0.0 109.332 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -44.06 97.66 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.019 0.824 . . . . 0.0 108.911 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -62.93 -46.06 89.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.45 -42.36 99.41 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.445 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.819 0.699 . . . . 0.0 110.261 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.68 91.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.607 0.567 . . . . 0.0 109.723 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -42.82 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.161 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.411 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -58.41 -41.51 85.1 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.668 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.411 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 O-C-N 123.818 0.699 . . . . 0.0 109.813 178.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 111.203 0.075 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -67.01 -52.86 37.29 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.96 -45.56 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.596 0.56 . . . . 0.0 110.461 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -64.19 -41.18 97.2 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 123.732 0.645 . . . . 0.0 110.531 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.38 -47.04 82.71 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 123.718 0.636 . . . . 0.0 111.276 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -62.64 -54.51 38.38 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.519 0.512 . . . . 0.0 109.715 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.85 -42.66 72.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.866 0.729 . . . . 0.0 110.578 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.08 -43.05 80.58 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.67 -42.27 98.07 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.475 HD13 ' SG ' ' B' ' 41' ' ' CYS . 36.8 mm -59.29 -48.03 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 61.7 m -54.7 -48.66 72.17 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.016 0.526 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.78 -36.29 83.4 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.872 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.33 -30.12 57.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.39 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.88 -36.83 78.55 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.24 -42.57 96.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.95 -38.99 90.59 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 123.804 0.69 . . . . 0.0 110.138 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -61.03 -40.3 93.06 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.757 0.661 . . . . 0.0 109.448 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -43.41 98.9 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.4 m -62.99 -46.06 89.49 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.425 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.52 -42.24 99.39 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.255 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.16 -40.74 98.41 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.977 0.798 . . . . 0.0 110.39 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.49 92.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.722 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.78 -42.76 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.122 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.403 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.9 ttp180 -58.3 -41.6 84.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.623 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.403 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 O-C-N 123.904 0.753 . . . . 0.0 109.608 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--O 1.236 0.372 0 CA-C-O 119.866 -0.112 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.92 -53.02 36.11 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.06 -45.31 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 123.568 0.543 . . . . 0.0 110.788 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -63.31 -42.17 98.99 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.326 0.392 . . . . 0.0 110.568 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.72 -47.43 82.42 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.597 0.561 . . . . 0.0 111.257 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -62.88 -51.36 67.26 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 mt -58.07 -42.95 86.63 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.755 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -57.01 -41.78 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 125.186 1.554 . . . . 0.0 108.462 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 123.912 0.757 . . . . 0.0 110.082 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.56 -43.82 98.41 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 61.0 m -54.83 -49.97 69.75 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.83 -41.53 97.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.467 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.7 -51.21 61.14 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 mt -50.74 -37.34 41.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.727 0.411 . . . . 0.0 110.638 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.18 -43.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.33 -36.41 84.03 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.354 0.781 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.061 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.09 -40.34 93.35 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.953 0.783 . . . . 0.0 109.275 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -43.87 98.01 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -62.88 -46.1 89.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.402 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.35 -42.22 99.22 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.402 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.27 -40.62 97.9 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.918 0.761 . . . . 0.0 110.428 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.7 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.5 -42.84 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.332 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.402 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.8 ttp180 -58.21 -41.75 84.7 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.606 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.251 0 O-C-N 123.863 0.727 . . . . 0.0 109.91 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.225 -0.209 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -66.43 -52.41 46.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.32 -45.37 96.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 123.633 0.583 . . . . 0.0 110.806 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.92 -42.11 97.47 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 0.0 109.916 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.31 -47.08 82.44 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.519 0.512 . . . . 0.0 110.68 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.1 t -61.11 -58.3 8.92 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' E' ' 40' ' ' ILE . 54.1 mt -46.12 -70.46 0.1 Allowed 'General case' 0 C--O 1.195 -1.807 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -32.32 -44.47 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 124.047 0.842 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.83 -43.29 93.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 117.703 0.229 . . . . 0.0 110.754 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' E' ' 37' ' ' LEU . 22.4 mm -59.62 -45.08 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 20.8 m -57.08 -49.54 75.55 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.136 0.898 . . . . 0.0 109.267 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.18 -40.63 98.06 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.362 1.039 . . . . 0.0 110.821 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.49 -51.55 59.24 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -52.8 -36.49 58.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.656 0.383 . . . . 0.0 110.236 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.13 -43.25 97.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.369 0.418 . . . . 0.0 109.91 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.054 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.79 -40.77 98.36 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.498 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -42.72 99.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.32 -46.12 90.17 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.893 0.746 . . . . 0.0 109.287 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.54 -41.81 99.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.849 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -64.71 -39.57 93.89 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.77 94.49 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.8 -42.64 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.701 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.3 ttp180 -59.92 -41.96 92.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.258 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.415 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 O-C-N 123.845 0.716 . . . . 0.0 109.651 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.98 -64.02 0.99 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.83 -47.39 93.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.892 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -60.79 -41.32 95.38 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -58.65 -45.11 90.04 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.469 0.481 . . . . 0.0 109.928 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -66.3 -39.17 89.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 112.335 178.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 mt -67.83 -45.53 74.41 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 122.257 1.027 . . . . 0.0 109.437 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.88 -43.98 89.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-N 113.462 -1.699 . . . . 0.0 109.196 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.93 -46.25 91.42 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 124.117 0.886 . . . . 0.0 109.143 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 40' ' ' ILE . 66.2 mt -66.01 -41.47 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 124.091 0.869 . . . . 0.0 110.667 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.2 m -55.99 -48.59 75.59 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.18 -38.09 89.81 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.058 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.43 -28.33 61.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 122.904 0.482 . . . . 0.0 111.201 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.22 -38.2 81.64 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.33 -42.55 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.35 0.615 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 177.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.0 -41.06 99.48 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.73 -43.13 99.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -62.58 -45.53 92.48 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.71 -41.88 99.37 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.878 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.54 -39.48 93.85 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.284 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.78 94.37 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.65 -42.73 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.692 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.402 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.4 ttp180 -59.83 -42.04 92.65 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.233 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 O-C-N 123.841 0.713 . . . . 0.0 109.571 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 tp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -71.05 -64.0 0.99 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.431 HD12 HG22 ' B' ' 33' ' ' ILE . 59.5 mt -61.52 -47.68 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.02 -41.64 96.94 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.831 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.17 -44.65 92.15 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.588 0.555 . . . . 0.0 109.657 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -66.59 -38.96 88.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 123.638 0.586 . . . . 0.0 111.766 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.51 -46.44 69.6 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.715 0.769 . . . . 0.0 109.192 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.37 -43.01 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 113.021 -1.899 . . . . 0.0 109.114 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.11 -44.24 97.09 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.406 HD12 HG22 ' B' ' 40' ' ' ILE . 63.0 mt -66.97 -41.73 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.304 1.002 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.9 m -56.05 -47.74 77.34 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.89 -38.11 89.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.941 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.08 -27.23 60.8 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.833 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.48 -37.78 77.39 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.82 -42.49 96.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 C--N 1.351 0.665 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.473 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -62.89 -41.3 99.38 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.457 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.58 -43.04 99.6 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.98 0.8 . . . . 0.0 109.295 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.5 m -63.03 -45.24 93.22 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.73 -41.72 99.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.075 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.61 -39.3 93.47 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.05 93.19 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.37 -42.84 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.772 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -59.88 -41.9 92.59 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.183 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.344 0.329 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 119.661 -0.209 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.91 -62.9 1.22 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 65.9 mt -62.97 -46.44 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.405 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -60.8 -41.71 96.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.416 0.553 . . . . 0.0 110.154 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -58.74 -44.94 90.65 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.809 0.693 . . . . 0.0 109.138 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.33 -52.78 62.3 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.697 0.623 . . . . 0.0 109.953 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' C' ' 40' ' ' ILE . 18.1 mt -52.93 -74.46 0.04 OUTLIER 'General case' 0 C--O 1.194 -1.837 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -33.37 -45.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 125.365 1.666 . . . . 0.0 110.835 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.0 mt -62.22 -47.1 85.94 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-O 121.215 0.531 . . . . 0.0 110.731 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.426 HG22 HD12 ' C' ' 40' ' ' ILE . 62.1 mt -64.23 -42.02 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.902 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 56.2 m -55.05 -48.99 72.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.33 -38.18 90.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.43 -27.0 61.19 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.604 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.09 -37.65 75.47 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.03 -42.36 95.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -63.19 -35.36 80.04 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.514 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -63.24 -40.97 98.94 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.67 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -62.87 -45.67 91.45 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.52 -41.78 99.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.774 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.0 m -64.82 -39.56 93.78 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.092 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.9 94.59 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.53 -42.83 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.82 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.403 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.6 ttp180 -59.83 -41.94 92.46 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.198 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.403 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.34 0.19 0 O-C-N 123.81 0.694 . . . . 0.0 109.622 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.19 -62.96 1.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.63 -46.7 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.561 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -61.44 -41.36 97.07 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.85 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.71 -44.68 90.46 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.6 -51.05 66.97 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.911 0.757 . . . . 0.0 110.633 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.9 mt -58.62 -44.76 90.07 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.103 0.477 . . . . 0.0 110.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.05 -43.08 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.887 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.08 -44.03 97.99 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.402 HD13 HG22 ' D' ' 40' ' ' ILE . 60.9 mt -67.21 -42.44 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.738 0.649 . . . . 0.0 109.812 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.0 m -55.94 -48.12 76.32 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.56 -40.4 96.88 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.765 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.08 -51.46 63.95 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mt -50.68 -38.57 47.56 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.226 0.61 . . . . 0.0 110.528 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.62 -43.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.38 -31.97 73.35 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.883 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.068 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.51 -40.88 98.22 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.847 0.717 . . . . 0.0 109.718 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.46 -43.17 99.34 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -63.09 -45.35 92.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.68 -41.52 99.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.986 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.8 m -64.85 -39.39 93.49 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.211 0.944 . . . . 0.0 110.309 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.26 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.59 -42.93 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.638 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.414 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.4 ttp180 -59.72 -41.98 92.07 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.147 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.414 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.344 0.339 0 O-C-N 123.716 0.635 . . . . 0.0 109.69 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--O 1.224 -0.265 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -71.44 -62.65 1.33 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.425 HD12 HG22 ' E' ' 33' ' ' ILE . 61.8 mt -62.65 -46.59 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -60.99 -41.29 96.17 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.255 0.479 . . . . 0.0 110.636 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -59.86 -44.67 94.01 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -61.52 -53.96 49.55 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.134 0.896 . . . . 0.0 109.665 178.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -51.3 -74.18 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -35.04 -45.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 125.369 1.668 . . . . 0.0 110.904 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.76 -47.11 86.64 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 120.651 0.262 . . . . 0.0 110.458 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.416 HG22 HD12 ' E' ' 40' ' ' ILE . 65.3 mt -65.25 -42.12 93.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.314 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 58.8 m -56.0 -47.21 78.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.62 -39.85 94.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.076 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.46 -51.24 64.05 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.12 -38.05 37.08 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.469 0.481 . . . . 0.0 110.824 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.54 -31.92 73.23 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.879 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.354 0.8 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.03 -40.43 95.68 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.83 -46.19 89.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.224 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.5 -41.93 99.15 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.029 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -64.6 -39.95 94.65 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.005 0.815 . . . . 0.0 110.133 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.14 94.88 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.19 -42.89 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.944 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -57.65 -41.38 81.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.047 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.407 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.014 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -62.36 -46.08 90.27 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.254 0.972 . . . . 0.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.18 -51.03 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.5 -45.04 94.84 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.93 -46.93 86.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.623 0.577 . . . . 0.0 110.854 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.0 OUTLIER -65.14 -37.65 88.09 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.377 0.423 . . . . 0.0 111.215 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.79 -43.45 68.68 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.064 0.853 . . . . 0.0 110.556 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.24 -42.99 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.761 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.66 -44.68 96.15 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mm -64.89 -42.23 94.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 123.232 0.613 . . . . 0.0 109.522 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.0 m -59.9 -51.29 70.33 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 122.598 0.359 . . . . 0.0 110.482 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.28 -41.45 98.49 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.33 1.019 . . . . 0.0 109.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.01 -50.05 70.02 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.06 0.85 . . . . 0.0 108.737 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -40.69 46.36 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.243 0.617 . . . . 0.0 110.075 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.45 -42.7 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.284 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.97 -40.54 95.95 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -42.99 99.7 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.901 0.751 . . . . 0.0 109.058 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -62.65 -45.98 90.33 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.786 0.679 . . . . 0.0 109.341 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.75 -41.83 99.38 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.984 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -64.48 -39.85 94.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 110.08 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.0 94.76 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.642 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.886 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.405 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.5 ttp180 -57.62 -41.44 81.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.998 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.405 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -62.46 -46.14 89.85 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.93 -51.63 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.02 -44.74 96.08 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.64 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.65 -47.31 86.1 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 123.359 0.412 . . . . 0.0 111.256 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -63.55 -34.06 76.97 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.651 0.595 . . . . 0.0 111.631 179.342 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.5 -74.4 0.13 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -32.01 -44.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.549 0 O-C-N 125.737 1.898 . . . . 0.0 110.924 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.39 -49.73 76.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.684 0.278 . . . . 0.0 110.409 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.55 -41.02 87.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.389 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.6 m -55.39 -50.55 69.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.28 -39.75 93.98 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.2 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -64.83 -47.87 76.45 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -53.06 -38.55 62.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.032 0.533 . . . . 0.0 109.587 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.34 -42.69 97.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.512 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.43 -40.46 94.53 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 123.781 0.676 . . . . 0.0 109.264 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -43.18 99.36 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -63.02 -46.1 89.21 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.296 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.36 -41.96 99.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.278 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -64.58 -40.08 94.89 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.157 0.911 . . . . 0.0 110.087 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.29 94.75 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.03 -43.03 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.832 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.61 -41.33 81.07 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.148 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -62.43 -46.63 87.69 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.725 0.641 . . . . 0.0 112.722 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.72 -51.14 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.93 -44.84 94.98 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.599 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.86 -47.31 80.71 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 123.647 0.592 . . . . 0.0 111.728 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.34 -50.61 70.94 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.66 0.6 . . . . 0.0 109.69 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.2 -44.23 95.3 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.18 -42.52 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 124.971 1.419 . . . . 0.0 109.687 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.09 -45.4 93.06 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.431 HD12 HG22 ' C' ' 40' ' ' ILE . 44.6 mt -66.91 -40.46 85.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.428 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 74.1 m -56.42 -49.98 72.96 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.57 -41.45 98.93 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.62 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.4 tp -70.68 -23.68 62.53 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.763 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -39.01 64.29 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.29 -41.59 93.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 77.9 m -62.24 -41.28 98.27 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.352 0.682 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.589 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.18 -40.59 96.54 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.901 0.751 . . . . 0.0 109.021 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -42.9 99.61 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -62.63 -46.05 90.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.244 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.74 -41.8 99.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.178 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.53 -40.05 94.88 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.119 0.887 . . . . 0.0 110.246 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.24 94.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.21 -42.83 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.879 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.4 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -57.69 -41.35 81.48 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.102 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.4 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.15 177.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -62.3 -45.8 91.63 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.0 -51.21 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.1 -43.94 97.07 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.663 1.227 . . . . 0.0 110.986 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -56.96 -47.44 80.71 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.771 0.669 . . . . 0.0 111.96 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.32 -50.63 70.89 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.513 0.508 . . . . 0.0 109.833 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.65 -44.17 93.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.592 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.7 -42.42 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 124.64 1.213 . . . . 0.0 109.394 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.27 -45.5 93.08 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.423 HD12 HG22 ' D' ' 40' ' ' ILE . 82.9 mt -67.54 -40.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 123.758 0.661 . . . . 0.0 110.457 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.3 m -54.28 -50.39 67.37 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.739 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.84 -25.12 61.84 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.454 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.21 -40.53 74.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.02 -42.18 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.304 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.27 -40.74 97.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.87 0.731 . . . . 0.0 110.188 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.18 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.462 0.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.23 -40.31 95.73 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.867 0.729 . . . . 0.0 109.049 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -42.99 99.72 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.75 -46.03 89.94 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.373 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.73 -41.84 99.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.126 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -64.37 -40.12 95.21 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.95 0.781 . . . . 0.0 110.302 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.05 95.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.33 -42.81 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.74 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.402 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.6 ttp180 -57.76 -41.34 81.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.949 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.161 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 119.631 -0.223 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -62.49 -46.05 90.23 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.862 0.726 . . . . 0.0 112.837 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.62 -51.28 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.84 -44.3 96.51 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.374 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.07 -47.14 81.71 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.689 0.618 . . . . 0.0 111.166 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -62.88 -50.39 71.08 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.157 0.503 . . . . 0.0 110.063 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -44.54 93.71 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.11 -43.43 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 125.112 1.507 . . . . 0.0 108.779 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.94 -46.25 90.01 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.47 HG22 HD12 ' E' ' 40' ' ' ILE . 53.2 mt -65.95 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.18 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.8 m -58.17 -49.27 77.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.31 -40.92 97.91 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 124.514 1.134 . . . . 0.0 109.595 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.82 -51.02 64.36 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.305 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -41.77 35.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.203 0.601 . . . . 0.0 109.942 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -43.74 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.358 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.98 -38.53 91.4 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.287 0.367 . . . . 0.0 110.666 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.695 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.474 ' HH ' HH22 ' A' ' 13' ' ' ARG . 91.2 t80 -62.69 -41.12 98.94 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.892 0.745 . . . . 0.0 109.409 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.87 -43.16 99.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.869 0.731 . . . . 0.0 109.299 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.68 -46.74 86.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.289 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -61.97 -43.41 98.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.24 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -63.88 -40.81 97.4 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.989 0.806 . . . . 0.0 110.522 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.36 92.8 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.545 0.528 . . . . 0.0 109.777 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.88 -42.8 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.19 0.931 . . . . 0.0 109.073 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.474 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.9 ttp180 -58.67 -41.98 87.43 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.543 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 O-C-N 123.921 0.763 . . . . 0.0 109.722 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 119.632 -0.223 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.39 -53.48 28.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.107 0.879 . . . . 0.0 112.566 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.74 -45.08 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 O-C-N 123.173 0.296 . . . . 0.0 110.824 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -63.43 -42.42 98.69 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.596 0.56 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -57.46 -47.71 81.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.34 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.1 t -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.864 0.728 . . . . 0.0 111.298 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.4 mt -70.43 -43.2 70.42 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.379 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.62 -41.92 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.996 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.55 -44.53 96.86 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.75 -41.8 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.349 1.03 . . . . 0.0 109.25 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.4 m -60.84 -52.34 65.47 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.02 0.528 . . . . 0.0 110.346 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.36 -41.38 93.55 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 123.736 0.647 . . . . 0.0 109.923 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -66.62 -47.36 72.87 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -36.91 56.14 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 122.688 0.395 . . . . 0.0 110.477 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.88 -43.24 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.063 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.478 ' HH ' HH22 ' B' ' 13' ' ' ARG . 91.4 t80 -62.87 -41.93 99.57 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.753 0.658 . . . . 0.0 109.466 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.7 -43.58 98.58 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.677 0.611 . . . . 0.0 109.545 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.54 -46.06 90.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.238 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.49 -43.25 99.26 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.101 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.63 -40.68 97.49 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.098 0.874 . . . . 0.0 110.529 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.43 92.44 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.831 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.82 -42.83 95.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.114 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.478 HH22 ' HH ' ' B' ' 6' ' ' TYR . 50.1 ttp180 -58.62 -41.84 86.85 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.634 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.403 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.417 0 O-C-N 123.803 0.689 . . . . 0.0 109.739 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--O 1.223 -0.333 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.59 -53.22 29.96 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.178 0.924 . . . . 0.0 112.809 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.61 -45.18 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 123.216 0.322 . . . . 0.0 110.916 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -62.69 -41.73 99.26 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 123.394 0.434 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.38 -47.65 84.63 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.394 0.433 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -65.6 -30.56 71.3 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.509 0.506 . . . . 0.0 111.686 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 40' ' ' ILE . 48.2 mt -72.16 -70.64 0.32 Allowed 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -32.89 -43.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.684 0 O-C-N 124.974 1.422 . . . . 0.0 110.449 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.41 -48.75 79.76 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' B' ' 37' ' ' LEU . 21.2 mm -63.52 -41.42 92.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 124.102 0.876 . . . . 0.0 108.658 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 61.0 m -61.16 -52.97 62.61 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.755 0.659 . . . . 0.0 109.949 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -59.42 -40.0 85.29 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.104 0.878 . . . . 0.0 109.334 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.09 -47.8 73.03 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -35.1 61.78 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 122.554 0.341 . . . . 0.0 110.509 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.47 -42.79 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.661 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.469 ' HH ' HH22 ' C' ' 13' ' ' ARG . 85.5 t80 -63.26 -41.08 99.01 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 123.786 0.679 . . . . 0.0 109.497 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.17 -42.89 99.7 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.809 0.693 . . . . 0.0 109.565 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.82 -46.44 87.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -62.82 -42.34 99.68 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.201 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -62.93 -41.83 99.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.269 0.98 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.37 88.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.014 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.42 -42.74 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.469 HH22 ' HH ' ' C' ' 6' ' ' TYR . 48.6 ttp180 -58.55 -41.74 86.26 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.441 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.428 HH22 HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 O-C-N 123.817 0.698 . . . . 0.0 109.893 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 111.45 0.167 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.66 -53.06 37.92 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.81 -44.77 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 123.13 0.269 . . . . 0.0 110.809 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -64.14 -41.52 97.17 Favored 'General case' 0 C--O 1.203 -1.371 0 O-C-N 123.806 0.691 . . . . 0.0 110.483 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.84 -47.09 81.15 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.581 0.551 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.55 -49.02 75.1 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.785 0.678 . . . . 0.0 109.663 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.61 -42.36 92.45 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.651 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -42.2 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 124.272 0.982 . . . . 0.0 108.947 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.8 -44.49 96.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 31.8 mm -64.47 -42.69 96.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 O-C-N 124.263 0.977 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.9 m -61.4 -51.92 66.74 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.457 0.473 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -59.95 -41.25 91.48 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 124.068 0.855 . . . . 0.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.29 -47.9 72.13 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 123.811 0.695 . . . . 0.0 109.232 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -39.3 62.17 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 123.258 0.349 . . . . 0.0 110.136 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.73 -42.58 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 61.9 m -63.08 -40.45 97.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.505 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.466 ' HH ' HH22 ' D' ' 13' ' ' ARG . 91.8 t80 -62.99 -41.73 99.66 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 123.889 0.743 . . . . 0.0 109.644 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.86 -43.36 99.01 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.743 0.652 . . . . 0.0 109.505 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.71 -46.08 89.76 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.161 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.4 -43.4 98.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.09 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.7 -40.4 96.68 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.017 0.823 . . . . 0.0 110.631 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.34 92.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.763 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.83 -42.77 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.217 0.948 . . . . 0.0 109.152 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.466 HH22 ' HH ' ' D' ' 6' ' ' TYR . 50.0 ttp180 -58.67 -41.83 87.07 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.557 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.413 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.39 0 O-C-N 123.728 0.642 . . . . 0.0 109.762 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 119.681 -0.2 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.64 -52.86 40.34 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.931 0.769 . . . . 0.0 112.921 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.78 -45.02 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 123.08 0.238 . . . . 0.0 110.769 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.04 -41.28 97.45 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.48 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.86 -47.45 80.36 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.976 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -62.79 -48.93 76.99 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.6 0.563 . . . . 0.0 109.988 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.26 -42.6 95.72 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.995 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.76 -42.17 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.26 -45.24 95.3 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 34.6 mm -63.94 -41.7 93.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 124.301 1.001 . . . . 0.0 110.202 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 78.6 m -61.68 -51.27 69.12 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.616 0.572 . . . . 0.0 110.304 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.36 -41.28 93.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.812 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.94 -47.99 72.87 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -37.52 59.63 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.472 0.483 . . . . 0.0 110.066 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 53.9 mt -62.03 -42.91 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.74 -37.96 87.83 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.348 0.54 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.705 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 . . . . . 0 N--CA 1.466 0.329 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . 0.459 ' HH ' HH22 ' E' ' 13' ' ' ARG . 91.6 t80 -63.04 -41.7 99.57 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.813 0.696 . . . . 0.0 109.529 177.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.82 -43.27 99.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.915 0.759 . . . . 0.0 109.559 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -62.93 -45.94 90.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.835 0.709 . . . . 0.0 109.252 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.57 -43.24 99.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.71 -40.41 96.7 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.028 0.83 . . . . 0.0 110.624 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.34 91.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.765 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.71 -42.91 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 124.192 0.932 . . . . 0.0 109.165 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.459 HH22 ' HH ' ' E' ' 6' ' ' TYR . 50.2 ttp180 -58.54 -41.97 86.76 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.652 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 O-C-N 123.727 0.642 . . . . 0.0 109.635 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.78 -53.17 29.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.19 -45.05 97.43 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.883 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.71 -41.6 98.07 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 124.409 1.068 . . . . 0.0 110.43 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.88 -46.62 81.76 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.591 0.557 . . . . 0.0 111.072 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.64 -49.73 72.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.5 -43.82 89.19 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.407 1.067 . . . . 0.0 110.317 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.69 -43.2 94.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.639 0.775 . . . . 0.0 109.307 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.13 -45.36 93.29 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 34.2 mm -64.29 -42.53 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.194 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.5 m -61.26 -51.76 67.58 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.291 0.369 . . . . 0.0 110.465 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.5 -42.25 91.76 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.538 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -65.78 -48.08 72.98 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -35.6 51.8 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.596 0.359 . . . . 0.0 110.839 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.5 -42.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -65.9 -38.64 89.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.602 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -63.49 -40.79 98.01 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.456 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.63 -42.99 99.67 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.707 0.629 . . . . 0.0 109.492 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.53 -46.11 89.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.5 -42.69 99.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.029 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -64.33 -40.24 95.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.611 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.2 94.47 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.509 0.505 . . . . 0.0 109.667 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.76 -42.4 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.998 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.5 ttp180 -60.49 -43.34 97.1 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.605 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.425 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.416 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.824 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.2 -55.05 10.3 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.77 -47.88 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.923 0.765 . . . . 0.0 112.038 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -62.42 -41.92 99.06 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.301 0.375 . . . . 0.0 111.065 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -58.77 -46.28 87.86 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.621 0.576 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -66.62 -35.11 79.39 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.892 0.745 . . . . 0.0 111.428 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.42 -44.3 68.19 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.65 0.738 . . . . 0.0 109.659 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.45 -41.66 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.196 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.11 -44.54 96.44 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mm -63.25 -43.82 98.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.2 m -56.51 -45.74 80.9 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.737 0.303 . . . . 0.0 110.4 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.09 -35.23 80.47 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.825 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 tp -74.54 -30.07 61.62 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.377 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.95 -39.09 90.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.58 -43.04 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.0 m . . . . . 0 CA--C 1.536 0.425 0 O-C-N 123.755 0.659 . . . . 0.0 109.563 177.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.56 -40.66 97.57 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 123.741 0.65 . . . . 0.0 109.35 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.56 -43.29 99.13 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.743 0.652 . . . . 0.0 109.405 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.44 -46.11 90.02 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.53 -42.64 99.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.969 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.0 m -64.3 -40.23 95.51 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.673 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.14 94.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.755 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.62 -42.69 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.868 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.428 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.5 ttp180 -60.4 -43.29 96.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.68 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.428 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.385 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.961 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 C--O 1.233 0.233 0 CA-C-O 119.768 -0.158 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.79 -55.71 7.96 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.935 0.772 . . . . 0.0 112.68 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.33 -45.86 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -62.62 -42.79 99.79 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.447 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.81 -46.09 91.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.753 0.658 . . . . 0.0 110.109 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 98.3 m -62.47 -31.54 72.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.765 0.666 . . . . 0.0 111.717 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' ILE . 52.4 mt -76.59 -68.14 0.63 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.44 -42.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 124.217 0.948 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.37 -48.49 81.03 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 123.362 0.413 . . . . 0.0 110.372 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' B' ' 37' ' ' LEU . 17.6 mm -61.96 -42.72 95.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.284 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 51.8 m -55.34 -46.37 76.37 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.36 -33.66 75.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.965 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.77 -30.74 62.95 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.38 -38.6 90.51 Favored 'General case' 0 C--N 1.367 1.35 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.82 -42.67 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 CA--C 1.537 0.475 0 O-C-N 123.898 0.749 . . . . 0.0 109.689 177.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.74 -40.1 95.89 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.423 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.32 -42.22 99.19 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 123.615 0.572 . . . . 0.0 109.482 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -62.58 -46.72 87.05 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.113 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -63.12 -41.92 99.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.322 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.1 90.61 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.015 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.19 -42.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.992 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.426 HH21 ' NH2' ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.63 -43.13 97.87 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.485 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.426 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.39 0 O-C-N 123.976 0.797 . . . . 0.0 110.015 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 111.031 0.012 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.53 -55.24 9.36 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.713 0.633 . . . . 0.0 112.694 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.66 -47.14 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.918 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -62.42 -41.64 98.85 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.676 0.61 . . . . 0.0 110.474 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.77 -47.0 87.42 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.395 0.435 . . . . 0.0 110.743 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -64.79 -32.66 74.45 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.602 0.564 . . . . 0.0 111.624 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.8 mt -70.5 -70.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 68.2 mt -34.81 -42.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 124.811 1.32 . . . . 0.0 110.221 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 mt -62.47 -48.52 79.26 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' C' ' 37' ' ' LEU . 10.2 mm -61.29 -43.2 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 123.919 0.762 . . . . 0.0 109.035 177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 58.0 m -56.16 -46.0 79.48 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.34 -33.37 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.946 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.48 -29.86 61.61 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.575 0.547 . . . . 0.0 111.429 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.83 -38.49 89.05 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.85 -43.03 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.13 -37.45 87.48 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.65 0.594 . . . . 0.0 109.693 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.66 -40.54 97.11 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.845 0.715 . . . . 0.0 109.497 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.79 -43.12 99.48 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.47 -46.13 89.92 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.41 -42.79 99.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.047 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 68.5 m -64.38 -40.23 95.41 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.092 0.87 . . . . 0.0 110.533 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.25 94.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.75 -42.44 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.902 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.47 -43.26 97.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.578 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.949 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 119.839 -0.124 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.13 -54.86 11.12 Favored 'General case' 0 C--O 1.245 0.858 0 O-C-N 123.85 0.719 . . . . 0.0 112.364 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -47.5 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 123.169 0.293 . . . . 0.0 111.764 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.36 -41.29 98.83 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.252 0.345 . . . . 0.0 110.598 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -57.43 -46.38 83.63 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.084 0.24 . . . . 0.0 111.042 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.77 -50.39 71.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.524 0.515 . . . . 0.0 109.722 179.31 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -58.8 -44.01 90.68 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.914 0.864 . . . . 0.0 110.532 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.24 -42.81 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.51 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.61 -44.56 96.14 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.74 -44.4 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.6 m -57.09 -44.89 83.58 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.641 0.588 . . . . 0.0 110.09 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.81 -35.35 80.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.193 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.41 -29.75 61.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.412 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.19 -38.57 88.34 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.02 -42.96 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -64.01 -37.44 87.44 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.742 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 51.8 mt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.664 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.466 0.358 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.85 -40.33 96.31 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.352 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.78 -43.14 99.43 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.77 -46.18 89.21 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.993 0.808 . . . . 0.0 108.981 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.24 -42.75 99.6 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.088 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -40.4 95.94 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.553 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.05 94.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.556 0.535 . . . . 0.0 109.749 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.7 -42.47 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.887 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.423 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.5 ttp180 -60.63 -43.13 97.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.612 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.423 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.377 0 O-C-N 123.948 0.78 . . . . 0.0 109.902 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.047 -0.025 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.89 -54.61 12.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.56 -46.79 91.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 123.57 0.544 . . . . 0.0 111.946 -177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -63.38 -41.53 98.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.661 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.58 -46.14 84.35 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.505 0.503 . . . . 0.0 110.711 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.8 OUTLIER -63.55 -49.11 74.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.776 0.673 . . . . 0.0 109.806 179.243 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.52 -43.31 93.47 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.062 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.7 mt -61.22 -42.65 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 O-C-N 124.395 1.059 . . . . 0.0 108.185 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mm -63.97 -43.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.3 m -57.49 -45.52 84.78 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.46 -38.0 89.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.32 -51.28 61.66 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.33 -38.16 40.51 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.871 0.305 . . . . 0.0 110.438 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.22 -44.14 99.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -65.93 -34.56 78.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.612 0.57 . . . . 0.0 110.071 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.266 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.488 ' HH ' HH22 ' A' ' 13' ' ' ARG . 90.8 t80 -62.4 -40.44 96.52 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 124.043 0.839 . . . . 0.0 109.183 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -43.11 99.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.831 0.707 . . . . 0.0 109.167 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -62.82 -46.05 89.77 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.198 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.38 -42.12 99.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.972 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -64.69 -40.3 95.15 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.148 0.905 . . . . 0.0 110.366 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.58 95.45 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.704 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.37 -42.26 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.021 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.488 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.4 ttp180 -59.73 -43.73 94.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.306 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.407 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.355 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.57 -27.83 68.72 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.57 -43.43 98.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.96 -42.22 93.6 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.111 0.882 . . . . 0.0 109.621 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -59.63 -44.38 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.3 t -68.82 -35.75 77.36 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.352 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.82 -43.67 79.08 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 122.452 1.12 . . . . 0.0 109.654 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -61.32 -42.66 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 112.988 -1.914 . . . . 0.0 109.103 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.39 -44.29 96.79 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.162 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.438 HG22 HD12 ' A' ' 40' ' ' ILE . 1.4 mm -63.87 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.9 m -56.45 -48.94 75.99 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -39.31 93.37 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.569 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -75.36 -26.36 58.46 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.712 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.25 -34.69 68.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.02 -41.07 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.47 -40.21 95.91 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.827 0.704 . . . . 0.0 109.304 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -43.28 99.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -62.54 -46.38 88.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.23 -42.64 99.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.07 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -64.08 -40.77 96.98 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.044 0.84 . . . . 0.0 110.417 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.42 94.48 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.51 -42.58 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.062 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.432 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.6 ttp180 -60.11 -43.37 95.64 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.698 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.432 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.472 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -65.33 -27.7 68.78 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.464 0.477 . . . . 0.0 109.786 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.28 -43.71 98.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -60.24 -41.94 94.22 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.809 0.693 . . . . 0.0 109.733 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.74 -44.88 93.59 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.545 0.528 . . . . 0.0 109.615 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.31 -37.21 80.37 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 123.714 0.634 . . . . 0.0 111.054 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.86 -43.61 83.14 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.6 mt -60.43 -42.17 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 125.349 1.656 . . . . 0.0 108.379 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.67 -43.75 95.77 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.455 HG22 HD12 ' B' ' 40' ' ' ILE . 1.3 mm -63.18 -42.09 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.0 m -58.59 -48.74 79.93 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.84 -40.98 97.2 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.928 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -66.58 -50.76 62.03 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -52.98 -33.72 52.67 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.963 0.347 . . . . 0.0 110.855 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.9 -42.02 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.447 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.455 ' HH ' HH22 ' C' ' 13' ' ' ARG . 78.8 t80 -62.71 -39.78 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 124.009 0.818 . . . . 0.0 109.153 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -42.75 99.68 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.867 0.73 . . . . 0.0 109.203 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.83 -46.67 86.86 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.69 -41.53 99.15 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.117 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.09 -42.09 99.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.06 90.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.253 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.19 -42.7 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.108 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.455 HH22 ' HH ' ' C' ' 6' ' ' TYR . 48.3 ttp180 -60.27 -43.3 96.32 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.379 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.435 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.426 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.204 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -65.26 -26.86 68.28 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.16 -44.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.36 -42.06 94.97 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.816 0.698 . . . . 0.0 109.389 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.2 -43.48 92.22 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.599 0.562 . . . . 0.0 109.819 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -50.8 65.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.044 0.84 . . . . 0.0 109.526 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.82 -44.75 82.33 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.52 -43.82 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 125.068 1.48 . . . . 0.0 108.083 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.93 -43.63 98.27 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.75 -44.28 99.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.1 m -56.65 -47.12 80.46 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.989 0.515 . . . . 0.0 109.744 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.68 -35.47 79.79 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.594 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.37 -28.21 47.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.131 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 mp -70.12 -35.61 74.23 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.03 -41.6 89.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.0 -41.55 98.19 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.355 0.817 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.42 -40.28 96.02 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.818 0.699 . . . . 0.0 109.272 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.29 -43.1 99.61 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.817 0.698 . . . . 0.0 109.123 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -62.76 -46.16 89.34 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.27 -42.65 99.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.101 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -64.01 -40.79 97.13 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.993 0.808 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.29 94.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.485 0.491 . . . . 0.0 109.716 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.54 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.013 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.422 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.6 ttp180 -60.22 -43.42 96.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.601 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.422 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.029 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.57 -26.98 68.1 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.42 -42.1 91.07 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.389 1.056 . . . . 0.0 109.826 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.93 -44.03 94.59 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.525 0.515 . . . . 0.0 109.779 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.7 t -69.56 -34.73 74.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.59 0.556 . . . . 0.0 111.712 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.6 -43.87 71.89 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -60.49 -41.2 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.882 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.45 -43.27 94.77 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.325 1.016 . . . . 0.0 108.743 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.17 -42.57 95.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.4 m -57.66 -48.76 78.6 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.96 0.787 . . . . 0.0 109.3 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.38 -41.65 98.8 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.669 1.23 . . . . 0.0 110.453 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.17 -50.3 64.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -50.92 -35.51 33.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.868 0.467 . . . . 0.0 110.807 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.83 -42.09 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.6 m -64.56 -37.72 88.55 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--N 1.36 1.061 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.189 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.48 -40.39 96.52 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.965 0.791 . . . . 0.0 109.316 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -43.26 99.21 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.8 -46.19 89.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.204 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.19 -42.83 99.65 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.001 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.137 0.898 . . . . 0.0 110.511 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.26 94.25 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.809 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.67 -42.46 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.029 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.417 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.6 ttp180 -60.29 -43.38 96.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.577 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.417 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.422 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.092 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -65.34 -27.39 68.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.21 -43.93 99.04 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.68 -41.73 91.33 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.963 0.789 . . . . 0.0 109.628 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -59.89 -43.74 94.62 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.723 0.639 . . . . 0.0 109.962 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -65.09 -48.76 72.56 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.973 0.796 . . . . 0.0 109.901 178.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.7 -44.96 86.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.336 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -61.91 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.551 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.96 -44.65 96.31 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.435 HD12 HG22 ' E' ' 40' ' ' ILE . 66.9 mt -66.29 -40.81 87.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.726 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -56.2 -47.67 77.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.56 -40.84 98.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.561 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.98 -50.57 63.85 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.37 -33.48 53.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.322 0.249 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.66 -41.58 92.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.93 -37.65 88.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.272 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.237 0.429 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.1 -40.56 96.26 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.94 0.775 . . . . 0.0 109.185 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -42.74 99.47 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -62.62 -45.79 91.22 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.94 -41.46 99.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -63.69 -40.29 96.43 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.427 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.46 93.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.749 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.5 -42.5 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.132 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.1 ttp180 -59.26 -42.43 91.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.583 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 O-C-N 123.89 0.744 . . . . 0.0 109.468 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 119.808 -0.139 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.0 -59.44 2.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.24 -47.34 92.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.241 0.473 . . . . 0.0 110.443 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -56.47 -44.27 80.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.67 -53.69 37.77 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.641 1.213 . . . . 0.0 110.183 178.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.08 -46.95 75.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.398 1.094 . . . . 0.0 110.919 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -57.8 -42.15 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.035 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.86 -42.22 99.67 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.404 HD13 ' SG ' ' E' ' 41' ' ' CYS . 21.5 mm -64.14 -43.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.309 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 67.9 m -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 0.0 109.356 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.08 -40.17 94.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.591 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.52 -29.03 62.21 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.803 0.69 . . . . 0.0 111.558 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.91 -40.24 83.45 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -42.64 96.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 114.57 -1.195 . . . . 0.0 107.988 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.217 -0.614 0 O-C-N 123.921 0.763 . . . . 0.0 109.986 178.052 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.508 ' HH ' HH22 ' B' ' 13' ' ' ARG . 89.7 t80 -61.92 -40.89 97.06 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.368 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.6 -46.47 88.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.82 -41.05 99.14 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.108 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -63.19 -40.44 97.51 Favored 'General case' 0 C--O 1.223 -0.323 0 O-C-N 124.012 0.82 . . . . 0.0 110.119 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.09 84.19 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.274 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -44.93 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.818 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.508 HH22 ' HH ' ' B' ' 6' ' ' TYR . 11.6 ptt180 -70.46 -28.71 65.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 . . . . . 0 C--N 1.356 0.853 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 111.205 0.076 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -74.35 -59.54 2.68 Favored 'General case' 0 C--O 1.244 0.812 0 O-C-N 123.708 0.63 . . . . 0.0 112.532 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.22 -47.12 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.71 -41.02 97.06 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.44 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.63 -44.41 81.2 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.702 0.626 . . . . 0.0 109.378 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -66.49 -52.64 43.86 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.02 0.825 . . . . 0.0 110.877 178.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 34.5 mt -55.92 -44.46 78.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.41 0.624 . . . . 0.0 110.78 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.45 -42.97 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.126 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.62 -41.73 99.18 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.513 0.508 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.431 HD13 ' SG ' ' A' ' 41' ' ' CYS . 5.5 mm -63.16 -44.75 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 86.1 m -57.07 -47.98 79.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.86 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.74 -43.49 96.35 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.571 -1.195 . . . . 0.0 111.054 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.36 -48.41 73.05 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.91 -39.55 59.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.515 0.326 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.36 -43.42 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 N--CA 1.469 0.484 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.933 178.146 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.78 -40.41 95.09 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 124.2 0.937 . . . . 0.0 109.264 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -43.01 99.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.22 -46.29 89.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.91 -41.37 99.42 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.103 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.77 -40.49 96.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.425 0.69 . . . . 0.0 110.306 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.33 92.98 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.51 -42.38 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.708 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.431 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -60.44 -41.96 95.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.431 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.053 179.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--O 1.225 -0.218 0 CA-C-O 119.682 -0.199 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.24 -58.65 3.15 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.765 0.665 . . . . 0.0 112.185 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.75 -47.28 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -62.2 -40.62 96.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.308 0.504 . . . . 0.0 110.477 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -56.74 -44.9 82.16 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -52.75 45.05 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.893 0.746 . . . . 0.0 110.433 178.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.94 -45.9 74.89 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.896 0.855 . . . . 0.0 110.342 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.75 -42.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 113.72 -1.582 . . . . 0.0 108.855 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.29 -42.17 98.21 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.452 HD13 ' SG ' ' B' ' 41' ' ' CYS . 6.0 mm -63.29 -43.87 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 62.7 m -55.97 -49.09 74.54 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.739 0.649 . . . . 0.0 109.485 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.65 -40.62 95.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -72.47 -28.34 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.588 0.555 . . . . 0.0 111.694 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.61 -40.12 80.56 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.2 -42.3 95.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.6 -37.71 87.34 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.691 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mt . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.94 -40.6 96.1 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.278 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -42.54 99.32 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -62.5 -46.04 90.27 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.127 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.93 -41.3 99.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.257 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.77 -40.51 96.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.957 0.786 . . . . 0.0 110.359 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.38 93.45 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.47 -42.5 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.798 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.25 -42.21 94.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.813 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.305 0 O-C-N 124.024 0.828 . . . . 0.0 110.092 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--O 1.22 -0.465 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.84 -59.15 2.88 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.706 0.629 . . . . 0.0 112.513 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.13 -47.23 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -62.13 -40.4 95.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.111 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.15 -44.41 87.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -64.59 -57.58 8.72 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 124.144 0.902 . . . . 0.0 109.598 178.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' D' ' 40' ' ' ILE . 13.8 mt -46.46 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 75.0 mt -33.94 -45.18 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.566 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -63.4 -43.53 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.487 HD13 ' SG ' ' C' ' 41' ' ' CYS . 6.5 mm -60.37 -43.67 94.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 29.8 m -57.28 -48.49 78.77 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.35 -38.41 90.02 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.862 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.71 -29.06 62.05 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 123.525 0.516 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.02 -40.82 82.85 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.83 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.98 -38.61 91.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.679 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -40.41 95.79 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 124.007 0.817 . . . . 0.0 109.145 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -42.72 99.53 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.79 -41.3 99.21 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.171 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -64.06 -40.22 95.79 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.878 0.736 . . . . 0.0 110.26 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.39 92.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.15 -42.78 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.877 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.15 -42.06 94.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.741 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.067 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.25 0.092 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -74.78 -59.13 2.87 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.679 0.612 . . . . 0.0 112.44 -178.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.1 -47.53 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -40.96 95.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.119 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.04 -44.25 87.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.672 0.608 . . . . 0.0 109.489 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -64.23 -58.51 6.37 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.387 1.054 . . . . 0.0 109.499 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' E' ' 40' ' ' ILE . 15.8 mt -46.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -35.41 -44.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 O-C-N 125.164 1.54 . . . . 0.0 110.606 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 118.131 0.423 . . . . 0.0 110.531 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.512 HD13 ' SG ' ' D' ' 41' ' ' CYS . 6.0 mm -60.29 -44.32 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.802 0.689 . . . . 0.0 109.275 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.7 m -56.86 -47.14 81.11 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.961 0.788 . . . . 0.0 109.439 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.84 -41.49 95.67 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.467 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.66 -26.14 60.6 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.46 -39.87 81.28 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.23 -42.18 94.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.3 -36.45 83.72 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.715 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.249 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--O 1.223 -0.335 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.6 -39.85 85.56 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.983 0.802 . . . . 0.0 109.731 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.88 -43.24 99.32 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -63.63 -46.23 86.63 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.228 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -63.1 -38.21 90.29 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.286 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.406 ' HG ' ' NH2' ' A' ' 13' ' ' ARG . 44.5 t -62.53 -42.82 99.77 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 123.997 0.811 . . . . 0.0 109.55 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.81 93.15 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.808 0.693 . . . . 0.0 110.217 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.813 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HE ' HH22 ' A' ' 14' ' ' ARG . 48.3 ttp180 -60.94 -36.97 80.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.065 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.521 HH22 ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.212 -0.906 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.783 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -63.12 -50.19 71.45 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.051 0.844 . . . . 0.0 112.365 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 33' ' ' ILE . 63.1 mt -64.55 -44.61 96.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 123.442 0.464 . . . . 0.0 110.28 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -58.86 -45.89 89.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.83 -44.76 93.89 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.808 0.692 . . . . 0.0 110.382 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.89 -41.13 91.93 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.27 -45.97 82.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.809 0.693 . . . . 0.0 109.234 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.6 mt -57.27 -41.33 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 112.905 -1.952 . . . . 0.0 107.588 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.84 -42.1 99.61 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 123.895 0.747 . . . . 0.0 109.801 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' SG ' ' E' ' 41' ' ' CYS . 32.9 mm -62.73 -43.97 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 60.8 m -55.24 -49.44 72.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.596 0.56 . . . . 0.0 109.713 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.56 -39.59 88.6 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.974 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.6 tp -74.35 -29.99 61.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.07 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.29 -40.3 97.0 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.42 -44.92 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.682 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 C--N 1.348 0.5 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.553 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 . . . . . 0 C--O 1.224 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.69 -40.11 86.77 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.009 0.818 . . . . 0.0 109.495 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.78 -43.26 99.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.928 0.767 . . . . 0.0 108.958 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.9 m -63.87 -46.0 86.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.242 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -63.24 -38.52 91.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.286 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -62.58 -42.79 99.77 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.981 0.801 . . . . 0.0 109.451 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.85 94.32 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.493 0.496 . . . . 0.0 110.158 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.93 -43.74 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.803 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.525 ' HE ' HH22 ' B' ' 14' ' ' ARG . 48.2 ttp180 -60.74 -36.95 80.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.073 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.525 HH22 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.213 -0.845 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.694 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 120.424 0.154 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -62.98 -50.2 71.71 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.42 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.427 HD13 HG22 ' B' ' 33' ' ' ILE . 61.1 mt -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 O-C-N 123.624 0.577 . . . . 0.0 110.131 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -59.54 -44.81 93.11 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -59.6 -43.99 93.53 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.877 0.736 . . . . 0.0 110.261 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -64.0 -52.99 56.96 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.514 0.509 . . . . 0.0 110.623 179.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.62 -44.07 80.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.63 -41.37 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 125.42 1.7 . . . . 0.0 108.07 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.16 -41.34 99.23 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 109.79 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.461 HD13 ' SG ' ' A' ' 41' ' ' CYS . 37.9 mm -62.75 -45.1 99.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.124 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 70.2 m -55.58 -48.87 74.12 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.511 0.507 . . . . 0.0 109.675 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.6 -39.35 88.34 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.74 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 tp -74.23 -30.21 62.06 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.812 0.445 . . . . 0.0 111.956 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.61 -39.71 95.07 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.7 -44.5 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m . . . . . 0 N--CA 1.472 0.629 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.73 179.234 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.47 -40.14 85.98 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 123.68 0.613 . . . . 0.0 109.666 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.68 -43.26 99.26 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.85 -45.91 87.37 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.517 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -63.22 -38.27 90.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.284 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.41 ' HG ' ' NH2' ' C' ' 13' ' ' ARG . 44.4 t -62.69 -42.62 99.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.925 0.765 . . . . 0.0 109.573 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.14 -42.78 93.52 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.623 0.577 . . . . 0.0 110.101 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.98 -43.85 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.535 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.49 -37.04 79.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.058 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.535 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.912 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.782 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.538 0.519 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -63.3 -49.86 72.35 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.671 0.607 . . . . 0.0 112.456 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.413 HD13 HG23 ' C' ' 33' ' ' ILE . 65.5 mt -64.8 -44.58 96.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.279 0.362 . . . . 0.0 110.198 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -59.1 -45.52 90.67 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -59.15 -44.34 92.09 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.377 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -63.75 -53.26 53.79 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.189 0.93 . . . . 0.0 110.324 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.5 -46.42 76.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.63 -42.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 125.396 1.685 . . . . 0.0 108.589 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.6 -41.06 98.36 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.419 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.429 HD13 ' SG ' ' B' ' 41' ' ' CYS . 38.1 mm -62.21 -43.76 98.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 66.0 m -56.46 -48.14 77.7 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.45 -39.2 88.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.373 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.37 -30.92 62.18 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 123.118 0.567 . . . . 0.0 112.105 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.88 -40.24 96.9 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.9 -44.63 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.804 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.4 m -64.09 -33.03 74.84 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--N 1.344 0.329 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.58 -40.51 87.63 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.835 0.709 . . . . 0.0 109.667 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.23 -43.79 98.04 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.56 -45.79 88.9 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.36 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -62.66 -39.24 93.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.143 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.4 m -63.2 -41.6 99.18 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.929 0.768 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.06 96.24 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.616 0.572 . . . . 0.0 109.898 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.95 -43.62 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.715 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.409 ' HE ' HH22 ' D' ' 14' ' ' ARG . 49.8 ttp180 -60.7 -37.32 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.09 177.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.409 HH22 ' HE ' ' D' ' 13' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.208 -1.086 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.69 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -62.84 -50.2 71.88 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.767 0.667 . . . . 0.0 112.258 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.412 HD13 HG22 ' D' ' 33' ' ' ILE . 64.4 mt -64.23 -44.84 97.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 123.7 0.625 . . . . 0.0 110.25 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -59.52 -45.17 92.53 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.11 -44.45 91.99 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.959 0.787 . . . . 0.0 110.006 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -63.92 -53.22 53.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.895 0.747 . . . . 0.0 110.78 179.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.44 -44.71 80.74 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.09 -42.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.152 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.87 -41.96 99.59 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.434 HD13 ' SG ' ' C' ' 41' ' ' CYS . 36.2 mm -62.87 -43.47 98.91 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 65.1 m -55.89 -48.78 75.01 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.86 -39.17 87.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.954 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.9 -30.37 61.27 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.921 0.489 . . . . 0.0 112.011 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.94 -40.23 97.0 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -65.97 -44.74 92.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.631 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.93 -32.57 74.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.724 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mt . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.48 -40.55 87.3 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.946 0.779 . . . . 0.0 109.689 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.28 -43.69 98.24 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -63.59 -45.62 89.54 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.349 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -63.04 -39.18 93.96 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.273 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -63.55 -41.18 98.45 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.998 0.812 . . . . 0.0 109.767 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.07 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.538 0.524 . . . . 0.0 109.807 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.13 -43.75 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 115.234 -0.893 . . . . 0.0 108.632 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.423 ' HE ' HH22 ' E' ' 14' ' ' ARG . 49.7 ttp180 -60.34 -37.3 80.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.169 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.423 HH22 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.75 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.627 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.419 0.152 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -62.93 -50.37 71.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.31 -44.74 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 123.475 0.485 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -59.53 -45.1 92.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.55 -44.01 93.37 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.945 0.778 . . . . 0.0 110.366 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.15 -52.86 57.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.588 0.555 . . . . 0.0 110.519 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.25 -45.79 79.9 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.279 0.561 . . . . 0.0 109.927 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.85 -42.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.146 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.91 -41.59 97.64 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 119.11 -0.471 . . . . 0.0 109.979 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.465 HD13 ' SG ' ' D' ' 41' ' ' CYS . 33.6 mm -62.03 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.58 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 63.7 m -54.45 -49.02 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.128 0.893 . . . . 0.0 109.774 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.68 -39.3 88.06 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.986 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 tp -74.93 -30.08 61.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.861 0.464 . . . . 0.0 111.846 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.35 -40.11 96.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.74 -44.64 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.651 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 95.3 m -63.94 -32.77 74.42 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.716 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 C--N 1.346 0.417 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.027 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.89 -40.91 95.84 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.051 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.2 -42.65 95.54 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.724 0.64 . . . . 0.0 110.14 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -62.06 -45.77 92.08 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.12 -44.7 96.07 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.981 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 m -64.55 -40.12 95.01 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.861 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.25 94.57 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.862 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.21 -43.08 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.951 0.782 . . . . 0.0 109.048 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.409 HH21 ' NH2' ' A' ' 14' ' ' ARG . 52.2 ttp180 -60.56 -22.14 63.34 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.628 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 O-C-N 123.846 0.716 . . . . 0.0 110.241 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.29 -52.59 63.1 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.006 0.816 . . . . 0.0 111.545 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -67.89 -44.38 85.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 124.107 0.88 . . . . 0.0 111.087 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.69 -42.92 98.13 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -58.45 -43.98 89.01 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -64.14 -50.56 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.136 0.272 . . . . 0.0 110.315 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.06 -46.29 85.64 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.525 0.678 . . . . 0.0 110.498 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.13 -42.44 90.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.331 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.47 -43.88 97.75 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.6 -42.85 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 78.0 m -58.95 -47.49 84.9 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 123.925 0.765 . . . . 0.0 109.534 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.4 -40.12 96.34 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.621 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.2 -50.56 65.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.428 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.94 -41.04 61.73 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 119.059 0.845 . . . . 0.0 109.294 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.65 -43.75 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.476 0.859 0 O-C-N 123.433 0.458 . . . . 0.0 110.261 178.307 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.63 -41.07 93.09 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.204 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.49 -42.1 95.64 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.694 0.621 . . . . 0.0 110.185 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.3 -46.03 90.59 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.805 0.691 . . . . 0.0 109.348 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.07 -44.83 95.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.895 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -64.3 -39.96 94.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.951 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.06 95.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.014 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.37 -43.21 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.945 0.778 . . . . 0.0 109.085 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.401 HH21 ' NH2' ' B' ' 14' ' ' ARG . 52.3 ttp180 -60.4 -22.17 63.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.657 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.401 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 0.0 110.265 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -62.68 -52.2 64.25 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.829 0.705 . . . . 0.0 111.563 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.416 HD12 HG21 ' B' ' 33' ' ' ILE . 64.0 mt -67.63 -45.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.536 0.523 . . . . 0.0 111.042 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.5 -43.14 97.34 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.75 -43.71 90.34 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.17 -50.33 68.56 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 123.844 0.715 . . . . 0.0 110.475 178.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.23 -46.5 88.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.31 -44.1 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.408 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.23 -42.87 99.29 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.677 0.611 . . . . 0.0 109.714 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.0 -44.5 99.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.3 m -58.4 -47.92 82.33 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.94 -39.12 93.66 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.368 1.042 . . . . 0.0 109.744 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.27 -28.14 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.915 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.95 -41.49 86.83 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.89 -42.9 98.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.899 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.164 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.16 -41.11 90.82 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.19 -42.36 94.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.58 0.55 . . . . 0.0 110.212 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -62.1 -45.9 91.43 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.998 0.811 . . . . 0.0 109.292 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.28 -44.34 96.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.892 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -64.39 -39.95 94.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.845 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.9 95.53 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.859 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.37 -43.29 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 124.092 0.87 . . . . 0.0 108.831 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.408 HH21 ' NH2' ' C' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -22.05 63.28 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.643 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.408 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 O-C-N 123.899 0.749 . . . . 0.0 110.224 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 119.872 -0.108 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -62.53 -52.56 62.96 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 111.63 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.421 HD12 HG23 ' C' ' 33' ' ' ILE . 63.9 mt -67.69 -44.82 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.209 -0.424 . . . . 0.0 110.877 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.62 -42.73 97.45 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.317 0.386 . . . . 0.0 110.03 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -58.33 -43.71 88.37 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.15 -51.7 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.762 0.663 . . . . 0.0 110.042 179.007 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.35 -45.71 84.08 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.398 0.618 . . . . 0.0 110.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.69 -42.9 93.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.971 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.52 -43.29 97.58 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.71 -44.49 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.9 0.75 . . . . 0.0 109.278 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 76.1 m -59.07 -46.53 88.02 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 123.715 0.634 . . . . 0.0 110.029 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -38.58 91.58 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.762 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.49 -28.95 62.2 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.868 0.73 . . . . 0.0 112.172 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.23 -41.73 89.65 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.32 -43.13 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.661 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.4 -41.54 98.76 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.676 0.61 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.228 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.87 -40.82 92.01 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.062 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.26 -42.42 95.32 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.55 0.531 . . . . 0.0 110.175 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.87 -45.99 91.36 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -62.11 -44.7 96.06 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.822 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -64.43 -40.2 95.29 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.758 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.07 95.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.731 0.644 . . . . 0.0 109.948 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.45 -43.23 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.167 0.917 . . . . 0.0 108.86 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.404 HH21 ' NH2' ' D' ' 14' ' ' ARG . 52.3 ttp180 -60.34 -22.14 62.91 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.674 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.404 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.598 0 O-C-N 123.89 0.744 . . . . 0.0 110.323 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.4 tp . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.79 -52.55 62.76 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 123.937 0.773 . . . . 0.0 111.653 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.411 HD12 HG22 ' D' ' 33' ' ' ILE . 64.9 mt -67.54 -45.01 86.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.954 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.7 -42.93 98.16 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -58.22 -43.76 87.86 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.159 0.912 . . . . 0.0 109.382 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.74 -52.08 62.05 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.227 0.329 . . . . 0.0 110.15 178.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . 0.431 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 14.8 mt -58.7 -45.04 90.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.8 -44.16 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 CA-C-N 113.515 -1.675 . . . . 0.0 108.49 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 123.887 0.742 . . . . 0.0 110.361 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.68 -43.99 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.2 m -57.86 -46.77 84.33 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 123.92 0.762 . . . . 0.0 109.943 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.37 -38.11 89.86 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.399 1.062 . . . . 0.0 109.458 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.62 -29.11 61.16 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.003 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.95 -41.4 91.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.38 -43.24 97.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 108.792 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.65 -41.59 98.2 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.749 0.656 . . . . 0.0 109.656 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.24 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.65 -41.24 92.82 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.101 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.36 -42.42 95.71 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.638 0.586 . . . . 0.0 110.124 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.27 -45.89 91.24 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.23 -44.6 96.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.843 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 57.4 m -64.39 -40.08 95.11 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.688 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.98 95.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.877 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.35 -43.18 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.98 0.8 . . . . 0.0 108.915 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.404 HH21 ' NH2' ' E' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -21.92 63.16 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.655 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.404 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.347 0.481 0 O-C-N 123.837 0.711 . . . . 0.0 110.211 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp . . . . . 0 C--O 1.224 -0.281 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.32 -52.41 63.77 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.202 0.939 . . . . 0.0 111.819 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 66.2 mt -67.95 -44.51 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.29 -43.07 96.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -60.04 -43.6 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 124.157 0.91 . . . . 0.0 109.124 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -62.04 -53.89 49.16 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.777 0.673 . . . . 0.0 109.831 178.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' E' ' 40' ' ' ILE . 7.5 mt -52.45 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.372 1.574 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -31.19 -47.06 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 O-C-N 124.617 1.198 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.84 -45.86 90.63 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 117.478 0.126 . . . . 0.0 111.192 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' E' ' 37' ' ' LEU . 11.1 mm -61.98 -44.05 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 60.3 m -58.17 -46.64 85.39 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.833 0.708 . . . . 0.0 109.92 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.01 -37.43 87.38 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.755 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.89 -29.07 61.87 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.102 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.01 -41.29 91.21 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.72 -42.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.731 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.7 m -63.59 -41.37 98.35 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.497 0.498 . . . . 0.0 109.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.158 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.42 -39.99 95.09 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.119 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.62 99.21 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.895 0.747 . . . . 0.0 109.074 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.57 -46.46 88.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.83 -41.27 99.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.034 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -65.18 -38.24 89.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.157 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.86 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.535 0.522 . . . . 0.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.8 mt -65.17 -43.11 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -60.49 -41.58 94.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.611 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.361 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.648 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 119.773 -0.156 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -71.94 -59.43 2.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.433 ' N ' HD22 ' E' ' 34' ' ' ASN . 71.8 mt -64.59 -45.57 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.106 -176.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.418 HD22 ' N ' ' B' ' 33' ' ' ILE . 30.5 m120 -61.79 -41.42 97.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.888 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.92 -44.75 87.03 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.347 0.405 . . . . 0.0 110.004 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.29 -51.75 58.68 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 178.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.41 -46.43 80.18 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -57.38 -44.11 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 125.487 1.742 . . . . 0.0 109.117 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.2 -42.57 98.82 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 HD13 ' SG ' ' E' ' 41' ' ' CYS . 3.3 mm -64.65 -42.9 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 124.151 0.907 . . . . 0.0 109.102 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 83.8 m -56.82 -50.35 72.64 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.955 0.784 . . . . 0.0 109.275 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.86 -41.0 99.2 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 124.363 1.039 . . . . 0.0 110.606 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.79 -24.09 60.88 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.282 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.74 -35.76 60.11 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.91 -41.68 91.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.626 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.987 0.805 . . . . 0.0 109.238 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.061 0.851 . . . . 0.0 108.938 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -62.45 -45.99 90.55 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.31 -41.71 98.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.983 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -64.63 -38.54 91.35 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.299 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.87 94.81 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.4 -42.9 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -60.43 -41.62 94.38 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.619 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.638 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.7 tp . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 119.724 -0.179 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -72.95 -58.95 2.95 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.418 ' N ' HD22 ' A' ' 34' ' ' ASN . 68.5 mt -64.57 -45.71 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.88 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -61.61 -40.94 96.62 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.613 0.642 . . . . 0.0 109.901 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.84 -45.28 90.42 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.566 0.541 . . . . 0.0 109.588 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -63.26 -53.93 45.27 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.565 0.541 . . . . 0.0 109.89 178.256 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' C' ' 36' ' ' CYS . 16.4 mt -49.78 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.368 1.398 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.5 mt -33.54 -45.4 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 O-C-N 124.93 1.394 . . . . 0.0 111.241 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -61.78 -45.3 94.46 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.457 HD11 ' SG ' ' A' ' 41' ' ' CYS . 2.2 mm -62.31 -42.31 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 38.4 m -57.21 -49.11 77.03 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.159 0.912 . . . . 0.0 109.319 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.23 -41.14 99.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.357 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.85 -25.0 61.79 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 123.563 0.539 . . . . 0.0 111.144 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.57 -36.94 63.08 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.34 -40.94 89.76 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.349 0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.582 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.76 -39.14 93.25 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.937 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -41.73 99.08 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.875 0.734 . . . . 0.0 109.098 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -62.57 -46.71 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -63.47 -40.55 97.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.059 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.89 -40.61 96.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.86 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.64 91.4 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.722 0.639 . . . . 0.0 110.125 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.83 -43.13 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.479 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -60.78 -41.05 94.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.545 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.479 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.347 0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.93 -57.26 4.75 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.29 -45.13 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 118.616 -0.706 . . . . 0.0 111.643 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.416 HD22 ' N ' ' D' ' 33' ' ' ILE . 28.6 m120 -61.66 -41.28 97.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.888 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -58.08 -44.86 87.81 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 123.708 0.63 . . . . 0.0 109.564 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.16 -58.74 6.21 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.146 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' SG ' ' D' ' 36' ' ' CYS . 16.6 mt -45.61 -71.82 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -35.62 -45.1 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.909 1.381 . . . . 0.0 111.098 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.55 -45.51 90.23 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.468 HD13 ' SG ' ' B' ' 41' ' ' CYS . 3.3 mm -60.01 -42.81 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 29.8 m -59.1 -48.94 79.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.904 0.752 . . . . 0.0 109.695 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.91 -39.84 95.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.467 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.92 -27.05 60.83 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.71 -36.13 67.76 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.92 -41.26 92.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.81 -40.61 95.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.29 -39.85 94.32 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -42.35 99.25 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.48 -45.98 90.54 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.707 0.629 . . . . 0.0 109.31 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -63.55 -41.22 98.45 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.929 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -65.06 -38.26 90.23 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.223 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -43.03 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -60.43 -41.7 94.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.625 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.662 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 119.884 -0.103 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -71.64 -60.04 2.44 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.416 ' N ' HD22 ' C' ' 34' ' ' ASN . 71.6 mt -64.4 -45.5 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.067 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.422 HD22 ' N ' ' E' ' 33' ' ' ILE . 31.3 m120 -61.7 -41.57 97.77 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.052 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -56.71 -44.47 81.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -54.9 23.93 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.979 0.799 . . . . 0.0 110.266 178.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 29.2 mt -53.88 -46.18 71.27 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.727 0.642 . . . . 0.0 109.443 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.01 -42.59 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 125.174 1.546 . . . . 0.0 108.772 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 mt -62.24 -43.97 97.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.393 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.77 -42.85 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.327 1.017 . . . . 0.0 110.011 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 70.8 m -57.6 -48.67 78.77 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.008 0.818 . . . . 0.0 108.81 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.75 -41.36 99.17 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.898 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.14 -50.88 62.45 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -52.18 -36.58 52.17 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.623 0.369 . . . . 0.0 110.409 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.7 -42.62 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.28 -37.95 89.32 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.247 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -62.17 -39.87 94.12 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -42.3 99.2 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.74 -46.3 88.71 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -63.17 -40.86 98.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.101 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 62.2 m -65.57 -37.9 88.0 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.052 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.45 92.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.41 -42.72 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.0 -41.76 97.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.634 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.412 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.682 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.237 0.442 0 CA-C-O 120.009 -0.043 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.26 -60.95 2.0 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.422 ' N ' HD22 ' D' ' 34' ' ' ASN . 61.8 mt -64.03 -46.24 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.155 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.433 HD22 ' N ' ' A' ' 33' ' ' ILE . 31.5 m120 -60.54 -41.81 95.23 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.382 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.88 -44.79 86.89 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.477 0.485 . . . . 0.0 110.141 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -67.63 -40.24 84.61 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.375 0.422 . . . . 0.0 111.848 179.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.21 -46.94 78.66 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.769 0.795 . . . . 0.0 109.773 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.4 -42.1 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.944 -1.934 . . . . 0.0 109.181 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.01 -45.11 96.15 Favored 'General case' 0 C--N 1.347 0.47 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.425 HG22 HD12 ' E' ' 40' ' ' ILE . 62.1 mt -67.48 -40.67 84.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 O-C-N 124.121 0.888 . . . . 0.0 110.221 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 79.3 m -56.09 -49.0 75.06 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.9 -41.45 99.44 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.349 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.56 -50.69 66.26 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.84 -34.77 60.3 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.147 0.43 . . . . 0.0 110.521 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.37 -42.13 94.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.31 -38.36 90.77 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.834 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -62.83 -40.05 96.22 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.04 0.837 . . . . 0.0 109.156 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -42.65 99.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.7 -46.36 88.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.59 -41.43 98.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.117 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.76 -40.76 95.82 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.058 0.849 . . . . 0.0 110.306 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.84 96.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.61 -42.26 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.959 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.0 ttp180 -60.64 -43.44 97.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.917 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.426 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 110.898 -0.038 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.43 -51.37 66.01 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.764 0.665 . . . . 0.0 112.774 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 33' ' ' ILE . 60.2 mt -64.69 -44.85 96.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 O-C-N 123.437 0.461 . . . . 0.0 110.327 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.61 -44.12 96.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.72 -43.59 90.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.89 0.744 . . . . 0.0 109.931 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -64.92 -53.21 49.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.843 0.715 . . . . 0.0 110.517 179.44 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.98 -45.19 79.03 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.52 -41.44 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.565 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.15 -41.77 97.04 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HD13 ' SG ' ' E' ' 41' ' ' CYS . 36.8 mm -62.37 -44.7 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 68.0 m -57.24 -49.78 74.94 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.609 0.568 . . . . 0.0 109.874 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 mt -62.29 -43.65 98.33 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.354 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.82 -48.21 69.64 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.572 0.545 . . . . 0.0 109.771 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.04 -34.9 31.64 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.508 0.323 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.44 -42.23 94.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.139 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.66 -40.28 96.56 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 124.058 0.849 . . . . 0.0 109.054 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.73 99.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.3 m -62.67 -46.34 88.61 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.104 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.115 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.83 -40.78 95.73 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.933 0.771 . . . . 0.0 110.283 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.99 96.21 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.31 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.018 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.438 ' HE ' HH12 ' B' ' 14' ' ' ARG . 48.9 ttp180 -60.69 -43.4 97.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.438 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.8 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.22 -51.78 64.9 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.789 0.681 . . . . 0.0 112.734 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.441 HD11 HG22 ' B' ' 33' ' ' ILE . 58.3 mt -65.02 -44.64 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.633 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.405 HD22 ' N ' ' C' ' 33' ' ' ILE . 8.5 m120 -60.4 -43.54 96.59 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.544 0.528 . . . . 0.0 109.591 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.31 -44.72 95.18 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.062 0.851 . . . . 0.0 110.319 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -66.99 -39.73 87.21 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.847 0.717 . . . . 0.0 111.786 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.11 -45.51 80.87 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.124 0.964 . . . . 0.0 109.036 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -56.46 -40.67 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 111.59 -2.55 . . . . 0.0 107.908 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.44 -41.9 98.66 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.819 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.442 HD13 ' SG ' ' A' ' 41' ' ' CYS . 22.5 mm -62.99 -44.93 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 63.8 m -55.98 -49.98 72.1 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 123.001 0.52 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.18 -42.62 99.4 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -75.88 -23.77 55.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.19 -36.03 74.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -61.64 -41.64 91.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.239 0.502 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.472 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -62.07 -39.86 93.84 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.995 0.81 . . . . 0.0 109.314 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.12 99.46 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -62.87 -46.3 88.54 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.345 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.58 -41.32 98.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.197 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 68.8 m -64.85 -40.8 95.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.163 0.915 . . . . 0.0 110.27 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.93 96.66 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.99 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.438 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.76 -43.38 98.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.925 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.438 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.348 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.798 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 110.736 -0.098 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.1 -51.69 65.61 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.432 HD11 HG23 ' C' ' 33' ' ' ILE . 59.7 mt -64.84 -44.82 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 123.352 0.408 . . . . 0.0 110.146 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.423 HD22 ' N ' ' D' ' 33' ' ' ILE . 8.6 m120 -60.74 -43.38 97.99 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.628 0.58 . . . . 0.0 109.518 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -58.93 -43.83 91.24 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.038 0.836 . . . . 0.0 110.344 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.49 -53.84 41.77 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.658 0.599 . . . . 0.0 110.449 179.099 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.29 -45.54 76.22 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.641 0.734 . . . . 0.0 109.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.9 mt -57.92 -41.1 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.436 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.97 -41.3 97.59 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.466 HD13 ' SG ' ' B' ' 41' ' ' CYS . 32.7 mm -62.02 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 68.4 m -57.27 -49.89 74.63 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.66 -41.7 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.681 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -76.17 -24.22 54.78 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.59 0.556 . . . . 0.0 111.773 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.73 -35.73 75.25 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.97 -41.7 91.95 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.66 -41.15 98.91 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.788 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.48 -40.05 95.42 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 124.026 0.829 . . . . 0.0 109.215 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -42.59 99.36 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.62 -46.26 89.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.261 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.75 -41.34 99.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.112 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -64.84 -40.71 95.61 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.022 0.826 . . . . 0.0 110.362 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.44 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.49 -42.34 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.907 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.0 ttp180 -60.67 -43.32 97.8 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.068 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.409 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.866 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 110.748 -0.093 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -63.37 -51.92 63.87 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.82 0.7 . . . . 0.0 112.86 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.423 ' N ' HD22 ' C' ' 34' ' ' ASN . 59.2 mt -64.9 -44.7 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.521 0.513 . . . . 0.0 110.301 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.412 HD22 ' N ' ' E' ' 33' ' ' ILE . 8.8 m120 -60.56 -43.99 96.66 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.45 -43.96 89.05 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.745 0.653 . . . . 0.0 110.314 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -53.64 43.71 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.754 0.659 . . . . 0.0 110.715 179.134 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.82 -45.1 78.41 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.372 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.9 mt -57.65 -41.45 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 108.561 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.68 -41.54 98.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.671 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.483 HD13 ' SG ' ' C' ' 41' ' ' CYS . 34.9 mm -62.22 -44.13 98.75 Favored 'Isoleucine or valine' 0 C--N 1.366 1.318 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 66.4 m -56.94 -49.92 74.19 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.86 0.725 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.42 -42.07 99.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.557 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.09 -24.1 55.02 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.478 0.486 . . . . 0.0 112.03 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.38 -35.35 73.45 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.12 -41.61 91.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.61 -41.12 98.8 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.648 0.593 . . . . 0.0 109.548 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.722 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.6 -40.19 96.14 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 124.103 0.877 . . . . 0.0 109.159 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.56 -46.34 88.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.216 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.77 -40.77 95.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.356 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.9 96.25 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.52 -42.4 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.85 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.0 ttp180 -60.6 -43.38 97.49 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.044 0.84 . . . . 0.0 109.984 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.323 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.831 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 119.938 -0.077 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -63.52 -51.56 64.94 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.831 0.707 . . . . 0.0 112.795 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.412 ' N ' HD22 ' D' ' 34' ' ' ASN . 60.1 mt -64.77 -44.78 96.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 O-C-N 123.523 0.514 . . . . 0.0 110.137 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 33' ' ' ILE . 8.5 m120 -60.74 -44.03 97.18 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.66 -43.87 89.97 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.99 0.806 . . . . 0.0 110.182 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -64.78 -53.6 44.42 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.76 0.663 . . . . 0.0 110.634 179.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.82 -44.88 78.32 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.264 0.554 . . . . 0.0 109.715 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.64 -41.77 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.294 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.52 -41.64 98.49 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.475 HD13 ' SG ' ' D' ' 41' ' ' CYS . 33.8 mm -62.54 -44.05 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 69.8 m -57.83 -49.73 75.69 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.66 0.6 . . . . 0.0 109.459 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.31 -43.61 98.42 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.267 0.979 . . . . 0.0 111.563 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.29 -48.21 68.33 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.844 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.0 -34.36 28.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.542 0.337 . . . . 0.0 110.596 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -42.19 95.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.21 -38.69 91.96 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.115 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.97 -40.51 97.93 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.419 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.77 -42.87 99.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.781 0.676 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.33 -47.05 85.95 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.56 -43.67 98.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.107 0.88 . . . . 0.0 110.517 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.07 93.17 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.45 0.469 . . . . 0.0 109.747 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.49 -42.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.857 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.38 -44.1 95.96 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 124.119 0.887 . . . . 0.0 109.771 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.43 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.373 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.892 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.86 -50.71 69.85 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.214 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.81 -44.53 92.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.242 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.76 -43.7 94.17 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.2 -44.2 92.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.803 0.689 . . . . 0.0 109.854 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -62.9 -50.84 69.28 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.88 -45.29 90.58 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 124.15 0.906 . . . . 0.0 109.272 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.52 -43.19 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.671 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.62 -43.38 98.95 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.45 -44.46 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 77.8 m -57.37 -45.7 84.17 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.74 -37.83 88.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.096 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.12 -52.27 50.1 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.631 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.53 -38.95 47.42 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.769 0.713 . . . . 0.0 110.393 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.472 0.674 0 O-C-N 123.59 0.556 . . . . 0.0 110.143 177.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.24 -40.31 97.08 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.867 0.729 . . . . 0.0 109.389 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.95 -42.73 99.44 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.972 0.795 . . . . 0.0 109.431 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.62 -46.69 87.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -61.65 -43.59 98.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.224 0.953 . . . . 0.0 109.947 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.9 m -64.93 -40.18 94.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 124.166 0.916 . . . . 0.0 110.381 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.95 93.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.542 0.526 . . . . 0.0 109.842 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.75 -42.7 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 124.274 0.984 . . . . 0.0 108.818 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.3 ttp180 -60.58 -43.75 96.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.159 0.912 . . . . 0.0 109.708 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.343 0.324 0 O-C-N 123.892 0.745 . . . . 0.0 109.896 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -62.82 -50.38 71.2 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.899 0.749 . . . . 0.0 112.249 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -65.7 -44.39 93.36 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.317 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.0 -43.57 95.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -59.71 -44.25 93.79 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.712 0.633 . . . . 0.0 109.833 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -63.65 -50.35 69.63 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.726 0.641 . . . . 0.0 110.621 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.78 -46.53 84.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -58.79 -43.42 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.536 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.24 -42.49 99.23 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 19.5 mm -63.93 -43.25 97.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.2 m -57.7 -46.96 83.64 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.845 0.716 . . . . 0.0 109.331 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.87 -38.77 92.09 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.369 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.44 -27.91 60.81 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 124.026 0.829 . . . . 0.0 111.633 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.89 -39.32 83.69 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.88 -42.65 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 C--N 1.35 0.59 0 O-C-N 123.699 0.624 . . . . 0.0 109.732 178.201 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -63.63 -39.99 95.76 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 124.017 0.823 . . . . 0.0 109.282 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.18 -41.88 98.75 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.977 0.798 . . . . 0.0 109.472 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.92 -47.42 83.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.05 -42.98 99.75 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.081 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.426 ' HG ' ' NH2' ' C' ' 13' ' ' ARG . 39.1 t -63.4 -42.18 98.77 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.36 1.038 . . . . 0.0 110.228 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.87 90.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.25 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.17 -42.85 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.426 ' NH2' ' HG ' ' C' ' 10' ' ' SER . 49.3 ttp180 -60.63 -43.66 97.27 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 124.05 0.844 . . . . 0.0 109.599 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.422 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.36 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.971 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -62.91 -50.7 69.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 124.074 0.858 . . . . 0.0 112.036 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.423 HD11 HG22 ' C' ' 33' ' ' ILE . 54.0 mt -65.72 -44.52 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 119.221 -0.419 . . . . 0.0 110.147 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -59.8 -43.92 94.23 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.677 0.611 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.35 -43.7 92.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.006 0.816 . . . . 0.0 110.05 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.51 -50.82 68.13 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.027 0.829 . . . . 0.0 110.275 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.45 -45.5 88.43 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.974 0.796 . . . . 0.0 110.141 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.1 -43.41 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.424 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.03 -43.91 97.83 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.447 HD12 HG22 ' C' ' 40' ' ' ILE . 45.5 mt -66.94 -41.56 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.176 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.8 m -56.13 -43.87 78.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.5 mt -66.39 -35.6 80.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.036 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.41 -31.18 63.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.121 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.64 -39.2 88.16 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.38 -42.91 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.45 -36.67 84.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.944 0.778 . . . . 0.0 109.775 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.884 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.31 -40.42 97.29 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.939 0.774 . . . . 0.0 109.672 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.84 -42.54 99.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.941 0.776 . . . . 0.0 109.495 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.35 -47.21 85.23 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.59 -43.56 98.63 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.967 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -64.78 -40.13 94.75 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 124.008 0.817 . . . . 0.0 110.561 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.92 93.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.82 -42.65 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.826 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.61 -43.87 96.95 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.153 0.908 . . . . 0.0 109.708 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.344 0.343 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.9 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -63.37 -50.98 67.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.929 0.768 . . . . 0.0 112.135 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.43 HD11 HG22 ' D' ' 33' ' ' ILE . 57.7 mt -65.3 -44.63 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.428 0.455 . . . . 0.0 110.091 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.74 -43.78 94.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -60.35 -44.12 95.83 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -38.87 89.05 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.488 0.493 . . . . 0.0 111.418 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.16 -45.6 76.54 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.61 -41.6 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.955 1.41 . . . . 0.0 108.053 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.1 -44.4 95.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.41 -44.08 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.4 m -55.97 -45.96 78.76 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.676 0.61 . . . . 0.0 110.092 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.0 mt -65.84 -34.86 79.12 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.83 -30.92 61.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.71 -39.06 90.82 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.89 -43.22 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.56 -37.19 86.36 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.894 0.746 . . . . 0.0 110.001 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.649 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.0 -40.44 97.77 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.739 0.649 . . . . 0.0 109.517 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.896 0.747 . . . . 0.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -63.08 -46.61 86.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.76 -43.3 99.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.026 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -65.03 -40.09 94.34 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 124.046 0.842 . . . . 0.0 110.575 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.86 93.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.91 -42.73 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.787 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.431 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -60.49 -44.03 96.39 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.158 0.911 . . . . 0.0 109.774 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.431 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.815 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -62.98 -50.77 69.46 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.907 0.754 . . . . 0.0 112.144 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.411 HD11 HG22 ' E' ' 33' ' ' ILE . 56.8 mt -65.82 -44.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.086 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.39 -43.84 92.88 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -60.99 -44.57 97.19 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.837 0.711 . . . . 0.0 109.729 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -63.75 -40.14 95.98 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.491 179.088 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' E' ' 40' ' ' ILE . 6.6 mt -64.25 -70.98 0.19 Allowed 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 104.076 -2.564 . . . . 0.0 104.076 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -35.85 -42.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 125.119 1.512 . . . . 0.0 109.654 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.35 -46.82 84.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.507 0.323 . . . . 0.0 110.819 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' E' ' 37' ' ' LEU . 7.5 mm -63.28 -43.42 98.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 61.1 m -56.56 -46.35 80.78 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 123.628 0.58 . . . . 0.0 109.689 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.71 -35.52 81.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.689 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.2 -52.15 44.68 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.58 -38.93 48.14 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.457 0.571 . . . . 0.0 109.697 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.52 -44.57 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -65.69 -34.45 78.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.917 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.38 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.73 -40.53 97.5 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.09 0.868 . . . . 0.0 109.793 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.66 -43.22 99.27 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.749 0.655 . . . . 0.0 109.508 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.27 -46.69 87.67 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.62 -42.62 99.14 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.098 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.091 0.869 . . . . 0.0 110.573 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.86 92.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.43 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.57 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -60.76 -40.98 94.51 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.249 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.415 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.544 0 O-C-N 123.925 0.766 . . . . 0.0 111.518 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -74.51 -57.54 3.87 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' N ' HD22 ' E' ' 34' ' ' ASN . 63.2 mt -65.0 -45.85 93.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.48 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.434 HD22 ' N ' ' B' ' 33' ' ' ILE . 30.7 m120 -60.92 -41.44 96.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.717 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -57.77 -45.81 85.45 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -67.93 -38.85 83.4 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.947 0.779 . . . . 0.0 111.811 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.49 -45.89 74.54 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.288 0.566 . . . . 0.0 109.905 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.14 -41.91 85.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.135 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.66 -43.46 98.82 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 40' ' ' ILE . 1.5 mm -65.51 -42.39 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 O-C-N 123.754 0.659 . . . . 0.0 109.692 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 70.8 m -57.36 -49.41 76.25 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.18 -39.55 94.97 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 124.897 1.373 . . . . 0.0 110.756 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.88 -25.68 61.17 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.859 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.48 -36.09 63.29 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -61.07 -40.72 86.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.089 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.0 -41.02 99.48 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 124.043 0.839 . . . . 0.0 109.846 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.94 -43.27 99.19 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.89 0.744 . . . . 0.0 109.526 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.78 -45.62 91.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -62.56 -42.18 99.38 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.923 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -65.66 -38.41 89.23 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 124.141 0.901 . . . . 0.0 110.55 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.69 91.25 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.618 0.574 . . . . 0.0 109.601 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.37 -42.41 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.404 HH21 ' NH2' ' B' ' 14' ' ' ARG . 50.8 ttp180 -60.64 -40.96 93.89 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.137 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.404 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 O-C-N 123.944 0.777 . . . . 0.0 111.517 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -74.52 -56.8 4.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.434 ' N ' HD22 ' A' ' 34' ' ' ASN . 59.7 mt -64.38 -46.34 93.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.95 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.413 HD22 ' N ' ' C' ' 33' ' ' ILE . 31.5 m120 -61.22 -40.9 95.73 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.463 0.574 . . . . 0.0 110.416 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -57.46 -45.34 84.88 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.69 0.619 . . . . 0.0 109.566 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -66.47 -51.04 61.03 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.014 0.821 . . . . 0.0 110.156 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.77 -44.55 81.91 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.568 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.55 -42.51 91.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.979 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.0 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 mt -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.407 HG22 HD12 ' B' ' 40' ' ' ILE . 1.8 mm -64.23 -42.87 96.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 79.3 m -59.0 -48.42 81.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 123.604 0.565 . . . . 0.0 109.65 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.35 -39.9 95.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.391 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.87 -25.24 61.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.89 -36.53 64.79 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.62 -40.81 87.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.23 -40.35 97.21 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 109.725 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -42.95 99.69 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -62.66 -46.57 87.58 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -61.88 -42.42 99.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.835 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -65.55 -38.86 90.82 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 124.143 0.902 . . . . 0.0 110.466 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.16 91.5 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.16 -42.47 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.489 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.417 HH21 ' NH2' ' C' ' 14' ' ' ARG . 50.6 ttp180 -60.77 -40.84 94.07 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.16 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.417 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 O-C-N 124.099 0.875 . . . . 0.0 111.527 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -74.37 -56.92 4.32 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' N ' HD22 ' B' ' 34' ' ' ASN . 61.2 mt -64.34 -46.72 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.478 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.423 HD22 ' N ' ' D' ' 33' ' ' ILE . 29.7 m120 -60.49 -40.76 92.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.277 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -58.62 -44.91 90.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.82 -52.59 59.51 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.831 0.707 . . . . 0.0 110.031 178.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -52.72 -74.63 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -32.85 -46.92 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.571 1.148 . . . . 0.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.73 -47.59 85.6 Favored 'General case' 0 C--N 1.37 1.457 0 O-C-N 122.191 -0.318 . . . . 0.0 110.429 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.444 HD12 HG22 ' C' ' 40' ' ' ILE . 54.6 mt -64.65 -41.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 59.8 m -55.13 -48.21 73.97 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.53 -37.89 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.189 -1.368 . . . . 0.0 110.814 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.39 -28.01 61.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.684 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -37.12 69.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -41.19 86.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.66 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.56 -44.06 96.57 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.479 1.016 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.525 178.297 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -62.76 -40.59 97.74 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.878 0.736 . . . . 0.0 109.661 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.84 -43.14 99.44 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -62.83 -45.72 91.29 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.651 0.594 . . . . 0.0 109.407 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.08 -42.72 99.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.082 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -65.12 -39.06 92.57 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 124.15 0.906 . . . . 0.0 110.524 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -43.99 91.36 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.58 0.55 . . . . 0.0 109.705 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.34 -42.33 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.411 HH21 ' NH2' ' D' ' 14' ' ' ARG . 50.7 ttp180 -60.76 -41.02 94.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.295 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.411 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.545 0 O-C-N 124.049 0.843 . . . . 0.0 111.459 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--O 1.237 0.419 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -74.54 -58.84 3.03 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.423 ' N ' HD22 ' C' ' 34' ' ' ASN . 63.6 mt -63.32 -46.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.39 -176.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.423 HD22 ' N ' ' E' ' 33' ' ' ILE . 31.5 m120 -61.02 -41.46 96.6 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.303 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -57.73 -45.41 85.83 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.616 0.572 . . . . 0.0 109.5 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -68.4 -39.1 81.77 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.144 0.903 . . . . 0.0 111.929 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -67.21 -44.64 79.05 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.52 -42.12 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 125.356 1.66 . . . . 0.0 108.73 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.47 -44.14 97.11 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.543 1.152 . . . . 0.0 109.483 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -64.47 -43.24 96.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.2 m -58.22 -49.01 78.57 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.759 0.662 . . . . 0.0 109.316 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.63 -40.58 97.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.562 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.29 -51.08 65.3 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.02 -36.68 60.79 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 122.726 0.41 . . . . 0.0 110.384 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.79 -42.22 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.54 -39.75 94.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.87 -41.34 99.35 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.698 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.8 -43.02 99.68 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.838 0.711 . . . . 0.0 109.736 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.88 -45.9 90.38 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -62.45 -42.13 99.24 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.014 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -65.3 -38.81 91.35 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.086 0.866 . . . . 0.0 110.515 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.03 91.82 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.25 -42.38 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.536 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.419 HH21 ' NH2' ' E' ' 14' ' ' ARG . 50.7 ttp180 -60.68 -40.88 93.81 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.229 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.419 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.485 0 O-C-N 123.937 0.773 . . . . 0.0 111.393 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -74.77 -57.23 4.04 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.423 ' N ' HD22 ' D' ' 34' ' ' ASN . 55.9 mt -64.26 -46.9 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.393 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 33' ' ' ILE . 31.7 m120 -60.76 -41.04 94.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.423 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -57.29 -44.95 84.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.552 0.533 . . . . 0.0 109.867 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.45 -50.75 64.2 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 123.643 0.589 . . . . 0.0 110.795 178.572 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.26 -46.54 85.83 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.675 0.609 . . . . 0.0 109.674 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.87 -43.96 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 124.707 1.255 . . . . 0.0 109.584 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.41 -44.36 97.28 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.57 0.544 . . . . 0.0 110.054 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.442 HG22 HD12 ' E' ' 40' ' ' ILE . 59.7 mt -67.06 -41.01 86.66 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 124.115 0.884 . . . . 0.0 110.182 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.2 m -55.81 -48.84 74.69 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.31 -40.57 97.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.591 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.08 -50.89 66.54 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.53 -34.0 64.3 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.829 0.452 . . . . 0.0 110.4 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.06 -41.93 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.11 -39.99 96.32 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.833 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.31 -40.36 97.12 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.951 0.782 . . . . 0.0 109.228 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -41.95 98.19 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.968 0.792 . . . . 0.0 109.066 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -62.5 -46.27 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.53 -41.96 99.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.924 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -65.51 -38.66 90.34 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 124.06 0.85 . . . . 0.0 110.419 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.96 92.72 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.607 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 124.119 0.887 . . . . 0.0 108.655 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -60.02 -40.81 90.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.401 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.273 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.605 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp . . . . . 0 C--O 1.234 0.284 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.18 -50.51 63.63 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.52 -45.69 97.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 O-C-N 123.762 0.664 . . . . 0.0 110.039 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.96 -42.07 94.93 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.619 0.574 . . . . 0.0 110.34 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.01 -47.24 78.16 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.692 0.62 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -49.7 69.02 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.75 -43.6 94.21 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.794 0.684 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.32 -43.11 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.289 0.993 . . . . 0.0 108.598 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.03 -42.28 99.0 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mm -63.66 -42.47 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.227 -0.656 . . . . 0.0 109.227 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 58.4 m -57.15 -48.4 78.8 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.42 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.218 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.81 -28.51 58.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.841 0.457 . . . . 0.0 111.352 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.35 -39.23 81.94 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.05 -42.71 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--N 1.348 0.54 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.616 178.087 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.52 ' HH ' HH22 ' B' ' 13' ' ' ARG . 88.5 t80 -63.34 -40.74 98.12 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 124.053 0.846 . . . . 0.0 109.292 177.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -41.79 97.91 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.947 0.779 . . . . 0.0 109.155 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.7 m -62.34 -46.61 87.91 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.35 -42.17 99.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.12 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.35 -39.42 93.85 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.085 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.08 86.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.239 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.38 -44.89 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.78 0.675 . . . . 0.0 110.671 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.52 HH22 ' HH ' ' B' ' 6' ' ' TYR . 10.1 ptt180 -69.47 -27.56 65.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.427 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.1 tpp180 . . . . . 0 C--N 1.352 0.709 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 CA--C 1.524 -0.037 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.2 -50.61 63.26 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.913 0.758 . . . . 0.0 112.926 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.02 -46.27 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 123.81 0.694 . . . . 0.0 110.154 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -64.08 -42.32 97.0 Favored 'General case' 0 C--O 1.219 -0.526 0 O-C-N 123.922 0.764 . . . . 0.0 110.787 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -56.76 -46.58 81.35 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.539 0.525 . . . . 0.0 111.017 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.75 -52.22 58.2 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.928 0.767 . . . . 0.0 110.118 179.131 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.08 -43.59 87.12 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.675 0.609 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.64 -42.09 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 124.245 0.965 . . . . 0.0 108.662 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.34 -41.64 97.38 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.42 HD13 ' SG ' ' A' ' 41' ' ' CYS . 11.1 mm -64.8 -43.48 96.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.44 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 84.3 m -56.21 -45.37 79.91 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.387 0.613 . . . . 0.0 109.985 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -65.75 -36.2 82.9 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.418 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.03 -30.36 61.05 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.126 0.891 . . . . 0.0 111.829 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.01 -42.75 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--N 1.35 0.614 0 O-C-N 123.645 0.59 . . . . 0.0 109.942 177.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.23 -40.57 97.82 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 124.021 0.826 . . . . 0.0 109.228 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -41.76 97.92 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m -62.35 -46.21 89.71 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.61 -41.96 99.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.091 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 70.1 m -65.56 -38.72 90.37 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.976 0.798 . . . . 0.0 110.272 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.6 92.61 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.21 -42.56 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -60.0 -40.9 90.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.487 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.256 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.673 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.6 tp . . . . . 0 CA--C 1.524 -0.056 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.59 -50.36 65.38 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.6 -45.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.16 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.34 -41.96 96.5 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 124.032 0.833 . . . . 0.0 110.309 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.83 -47.04 81.22 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.636 0.585 . . . . 0.0 111.294 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -48.79 71.92 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.612 0.57 . . . . 0.0 110.3 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.34 -42.57 95.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.945 0.778 . . . . 0.0 110.583 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.89 -42.79 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.18 -42.03 99.29 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 72.3 m -57.38 -45.51 84.39 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.69 -36.65 84.95 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 124.287 0.992 . . . . 0.0 110.043 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.03 -29.78 62.1 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.99 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.38 -39.46 85.63 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.48 -42.77 97.38 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.65 -37.69 88.27 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.627 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -62.64 -40.38 96.82 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.369 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -42.23 98.54 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -62.79 -46.18 89.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.45 -42.04 99.17 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.987 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -65.6 -38.75 90.37 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 124.166 0.916 . . . . 0.0 110.178 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.77 93.83 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.25 -42.57 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -60.0 -40.84 90.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.417 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.632 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.04 -50.72 63.22 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.27 -45.84 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.176 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.91 -41.6 95.44 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 123.78 0.675 . . . . 0.0 110.17 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -56.82 -46.74 81.46 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.829 0.705 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -50.01 67.33 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 123.515 0.509 . . . . 0.0 110.076 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -59.4 -41.7 90.05 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.424 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.64 -42.05 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.66 -41.96 99.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.37 -43.47 98.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 76.3 m -59.1 -44.93 91.98 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.7 -38.92 92.63 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.469 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.95 -51.63 56.77 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.308 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.01 -38.56 57.26 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.259 0.936 . . . . 0.0 110.523 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.53 -43.75 98.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -65.54 -34.78 79.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.003 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 69.0 mt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.428 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -63.25 -40.42 97.38 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.213 0.946 . . . . 0.0 109.173 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -42.0 98.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.887 0.742 . . . . 0.0 109.165 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -62.58 -46.23 89.29 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.59 -41.97 99.29 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.249 0.968 . . . . 0.0 109.91 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -65.78 -38.52 89.24 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.067 0.855 . . . . 0.0 110.231 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.77 92.9 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -42.75 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.187 0.929 . . . . 0.0 108.604 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -59.9 -40.97 90.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.604 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.12 -50.53 63.68 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.37 -45.8 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.77 -42.06 97.87 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.764 0.665 . . . . 0.0 110.248 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -57.55 -47.19 82.71 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.573 0.546 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -63.76 -53.02 57.6 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' E' ' 40' ' ' ILE . 69.2 mt -52.41 -72.02 0.06 Allowed 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.6 mt -34.42 -43.95 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.78 0 O-C-N 124.614 1.196 . . . . 0.0 110.701 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.6 -44.71 93.19 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' E' ' 37' ' ' LEU . 24.9 mm -63.03 -43.07 98.83 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 m -57.59 -45.56 85.12 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.68 -36.78 85.39 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 124.723 1.264 . . . . 0.0 109.431 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.2 -52.34 48.93 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.072 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.82 -38.83 51.03 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.679 0.672 . . . . 0.0 109.899 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.09 -44.03 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.3 -34.96 79.57 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 123.433 0.458 . . . . 0.0 110.097 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.384 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.83 -40.38 92.58 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -43.13 99.49 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.964 0.79 . . . . 0.0 108.924 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -62.79 -46.13 89.42 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.377 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.8 -41.28 99.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.201 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -63.58 -40.4 96.86 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.811 0.694 . . . . 0.0 110.262 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.32 93.76 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.784 0.678 . . . . 0.0 109.594 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.82 -42.64 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 124.08 0.863 . . . . 0.0 109.018 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -60.06 -43.01 95.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.425 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.358 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.501 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.21 -47.72 81.32 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.903 0.752 . . . . 0.0 112.379 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.434 ' N ' HD22 ' E' ' 34' ' ' ASN . 70.4 mt -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.458 HD22 ' N ' ' B' ' 33' ' ' ILE . 11.9 m120 -63.42 -44.62 94.08 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.796 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.82 -45.61 93.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.009 0.818 . . . . 0.0 110.652 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -58.95 -53.99 52.15 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' ILE . 44.0 mt -52.31 -73.35 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -32.05 -43.72 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.17 -44.35 96.8 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 122.092 -0.38 . . . . 0.0 110.483 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' LEU . 6.1 mm -63.05 -41.77 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 23.8 m -55.81 -49.57 72.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.11 -38.8 92.36 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.757 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.64 -26.28 57.61 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.631 0.582 . . . . 0.0 112.129 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.69 -37.39 73.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.77 -42.07 94.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 CA--C 1.542 0.672 0 O-C-N 123.748 0.655 . . . . 0.0 109.57 177.823 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.11 -40.41 93.66 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -43.16 99.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.79 -46.06 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.272 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.77 -41.6 99.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.086 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -63.51 -40.41 96.98 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.065 0.853 . . . . 0.0 110.261 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.38 94.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.95 -42.59 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.91 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.18 -42.89 95.95 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.767 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 O-C-N 123.867 0.729 . . . . 0.0 109.699 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.94 -48.6 78.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.029 0.831 . . . . 0.0 112.155 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.458 ' N ' HD22 ' A' ' 34' ' ' ASN . 77.9 mt -63.45 -45.42 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.629 0.581 . . . . 0.0 109.571 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.441 HD22 ' N ' ' C' ' 33' ' ' ILE . 11.3 m120 -62.89 -44.95 94.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.742 0.651 . . . . 0.0 110.144 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.66 -47.19 86.47 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.981 0.8 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -61.66 -37.95 85.94 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 40' ' ' ILE . 33.3 mt -65.96 -72.07 0.17 Allowed 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 175.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -31.92 -41.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 125.078 1.486 . . . . 0.0 110.88 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.18 -44.89 95.58 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.574 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.0 mm -63.54 -41.66 93.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 123.461 0.704 . . . . 0.0 109.127 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 21.9 m -55.18 -49.67 71.31 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.5 -40.42 97.04 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.472 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -73.86 -26.79 60.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.146 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.15 -37.86 72.22 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -41.84 94.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.541 0.616 0 O-C-N 123.791 0.682 . . . . 0.0 109.673 177.644 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.32 -40.42 94.16 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -43.03 99.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -62.66 -46.24 89.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.59 -41.66 99.1 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.27 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -63.36 -40.43 97.24 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.148 0.905 . . . . 0.0 110.333 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.49 93.45 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.705 0.628 . . . . 0.0 109.834 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.82 -42.69 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.958 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.438 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -59.84 -42.81 94.42 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . 0.438 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.647 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -62.63 -48.02 81.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.954 0.784 . . . . 0.0 112.537 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.441 ' N ' HD22 ' B' ' 34' ' ' ASN . 78.3 mt -63.65 -45.27 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.453 HD22 ' N ' ' D' ' 33' ' ' ILE . 10.9 m120 -63.29 -44.28 95.49 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.798 0.686 . . . . 0.0 110.026 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -61.05 -46.2 91.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.79 0.681 . . . . 0.0 110.863 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -59.29 -53.43 58.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' C' ' 40' ' ' ILE . 44.0 mt -52.37 -73.21 0.04 OUTLIER 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -33.33 -44.01 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.837 0 O-C-N 124.077 0.861 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 mt -61.3 -44.2 97.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' C' ' 37' ' ' LEU . 4.8 mm -62.99 -42.03 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.0 m -55.92 -48.48 75.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -64.03 -39.9 95.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.838 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.98 -26.72 59.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.908 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.21 -38.43 75.28 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.05 -41.75 94.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.37 -38.48 89.72 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.23 -40.4 93.88 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -43.15 99.45 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.71 -46.03 90.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.174 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -62.95 -41.2 99.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.172 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -63.88 -40.35 96.34 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.003 0.814 . . . . 0.0 110.391 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.35 93.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.51 0.506 . . . . 0.0 109.674 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.75 -42.68 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.979 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.418 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.08 -42.87 95.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.751 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . 0.418 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.418 0 O-C-N 123.98 0.8 . . . . 0.0 109.641 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.89 -48.47 78.84 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.963 0.789 . . . . 0.0 111.93 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.453 ' N ' HD22 ' C' ' 34' ' ' ASN . 75.6 mt -63.43 -46.52 95.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 O-C-N 123.76 0.662 . . . . 0.0 109.382 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.401 HD22 ' N ' ' E' ' 33' ' ' ILE . 9.5 m120 -61.99 -44.16 97.33 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 124.201 0.938 . . . . 0.0 110.043 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -60.73 -45.32 94.73 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.78 0.675 . . . . 0.0 110.612 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -59.73 -54.17 49.42 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' D' ' 40' ' ' ILE . 16.9 mt -51.31 -72.82 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.24 -43.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 125.2 1.563 . . . . 0.0 110.933 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.42 -44.52 96.24 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' D' ' 37' ' ' LEU . 4.6 mm -63.5 -41.03 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.974 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 33.5 m -57.93 -47.1 83.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.803 0.689 . . . . 0.0 109.48 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.29 -41.35 96.92 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.335 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.23 -51.01 63.63 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.63 0.581 . . . . 0.0 109.454 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.46 -37.69 50.09 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.045 0.538 . . . . 0.0 110.196 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.57 -42.74 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.26 -37.67 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.357 0.914 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.268 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.01 -40.34 93.19 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -43.21 99.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 m -62.84 -45.97 90.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.334 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.86 -41.31 99.33 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.182 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -63.71 -40.32 96.48 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.994 0.809 . . . . 0.0 110.22 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.23 94.56 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.95 -42.73 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.016 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.428 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.17 -42.85 95.84 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.714 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . 0.428 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.701 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -62.35 -49.29 76.17 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.958 0.786 . . . . 0.0 112.289 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.402 HD13 HG22 ' E' ' 33' ' ' ILE . 76.8 mt -64.07 -44.74 97.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 123.465 0.478 . . . . 0.0 109.981 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.434 HD22 ' N ' ' A' ' 33' ' ' ILE . 10.3 m120 -61.63 -44.64 96.61 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.874 0.734 . . . . 0.0 109.465 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -60.6 -45.25 94.69 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.81 0.694 . . . . 0.0 110.804 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.974 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -59.81 -55.19 37.26 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 121.27 0.557 . . . . 0.0 109.843 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -56.89 -44.33 82.18 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.2 0.6 . . . . 0.0 110.458 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -58.73 -40.83 80.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.142 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.86 -40.5 96.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.39 -42.29 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 57.9 m -57.68 -47.51 82.11 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.37 -43.64 97.03 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.149 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 -50.18 64.19 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.54 -37.17 37.89 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 118.198 0.454 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.31 -43.31 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.25 -35.56 81.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.587 0.554 . . . . 0.0 109.634 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.36 1.041 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HH ' HH22 ' A' ' 13' ' ' ARG . 90.6 t80 -61.37 -41.18 96.66 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 124.02 0.825 . . . . 0.0 109.451 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.33 -45.37 94.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.37 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.77 -46.61 87.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.786 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.42 -46.02 91.86 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -62.78 -41.1 99.09 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.221 0.95 . . . . 0.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.17 76.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.822 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.61 -42.83 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.147 0.904 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.494 HH22 ' HH ' ' A' ' 6' ' ' TYR . 57.8 ttp180 -55.61 -45.78 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.488 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 . . . . . 0 CA--C 1.539 0.528 0 O-C-N 123.734 0.646 . . . . 0.0 110.04 178.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -78.77 -60.27 2.45 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD22 ' E' ' 34' ' ' ASN . 56.0 mt -62.7 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.522 -175.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.419 HD22 ' N ' ' B' ' 33' ' ' ILE . 32.6 m120 -61.33 -40.37 93.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.272 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.86 -44.36 82.12 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.202 0.939 . . . . 0.0 109.642 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -67.45 -50.95 56.95 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.379 1.049 . . . . 0.0 110.749 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -56.36 -45.09 80.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.445 0.465 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.1 -44.44 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 126.161 2.163 . . . . 0.0 108.289 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.03 -43.1 99.61 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HD13 ' SG ' ' E' ' 41' ' ' CYS . 1.7 mm -63.18 -42.85 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 71.3 m -57.47 -47.94 80.52 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.605 0.565 . . . . 0.0 109.489 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.0 -39.78 95.8 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.658 1.224 . . . . 0.0 110.874 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -75.33 -24.88 57.43 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.586 0.554 . . . . 0.0 111.513 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.21 -34.78 68.61 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.45 -41.38 91.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.501 ' HH ' HH22 ' B' ' 13' ' ' ARG . 92.8 t80 -61.18 -41.12 96.23 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.881 0.738 . . . . 0.0 109.538 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.76 -44.56 96.65 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.65 -46.33 88.72 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.805 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -63.01 -43.36 98.99 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.502 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -64.43 -36.79 85.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.952 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.5 57.5 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.95 -45.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.089 0.868 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.501 HH22 ' HH ' ' B' ' 6' ' ' TYR . 26.8 ptt180 -60.93 -42.17 97.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.253 0.345 . . . . 0.0 110.537 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 . . . . . 0 CA--C 1.537 0.471 0 O-C-N 123.63 0.581 . . . . 0.0 109.632 178.333 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.86 -60.01 2.51 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.419 ' N ' HD22 ' A' ' 34' ' ' ASN . 53.6 mt -62.34 -46.74 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.12 -175.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -61.31 -40.27 93.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.107 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -56.87 -44.41 82.2 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.979 0.8 . . . . 0.0 109.663 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -67.77 -51.63 46.76 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.483 178.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.412 ' HB3' ' SG ' ' C' ' 36' ' ' CYS . 46.0 mt -55.88 -43.18 76.95 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -42.46 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.113 1.508 . . . . 0.0 108.574 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.99 -43.71 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 123.62 0.575 . . . . 0.0 109.875 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.412 HD13 ' SG ' ' A' ' 41' ' ' CYS . 2.1 mm -62.59 -43.45 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.7 m -57.54 -48.69 78.62 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -62.5 -41.75 99.03 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 124.64 1.212 . . . . 0.0 110.72 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.95 -49.79 66.65 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.99 -34.33 42.13 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.012 0.369 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.88 -42.56 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.36 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.491 ' HH ' HH22 ' C' ' 13' ' ' ARG . 83.6 t80 -60.33 -40.25 89.96 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 124.185 0.928 . . . . 0.0 109.996 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.17 -45.91 91.3 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.718 0.637 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -63.16 -46.98 84.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -61.54 -44.69 96.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.464 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t -62.38 -42.84 99.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.127 0.892 . . . . 0.0 110.638 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.85 78.03 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.96 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.75 -42.95 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.042 0.839 . . . . 0.0 110.111 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.491 HH22 ' HH ' ' C' ' 6' ' ' TYR . 57.5 ttp180 -55.85 -43.85 77.47 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.257 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.283 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -80.04 -59.44 2.72 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 118.82 -0.61 . . . . 0.0 112.299 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.408 HD22 ' N ' ' D' ' 33' ' ' ILE . 32.6 m120 -60.88 -40.36 92.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.992 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -57.57 -44.14 85.09 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.705 0.628 . . . . 0.0 109.393 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -65.05 -57.35 8.89 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 123.664 0.602 . . . . 0.0 109.813 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' C' ' 40' ' ' ILE . 37.9 mt -46.55 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -32.76 -46.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 124.962 1.414 . . . . 0.0 110.456 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.87 -44.72 92.23 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 120.536 0.207 . . . . 0.0 111.384 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.469 HD13 ' SG ' ' B' ' 41' ' ' CYS . 2.6 mm -61.08 -43.27 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.1 m -56.8 -47.84 79.31 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.018 0.824 . . . . 0.0 109.309 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.57 -37.68 88.39 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.697 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.13 -26.64 56.55 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.415 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.75 -36.18 75.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.78 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.7 -41.07 97.11 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.358 0.973 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.498 ' HH ' HH22 ' D' ' 13' ' ' ARG . 90.1 t80 -61.24 -41.19 96.45 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.787 0.679 . . . . 0.0 109.743 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.42 -45.28 94.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.7 0.625 . . . . 0.0 109.319 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.82 -46.7 86.74 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -61.35 -45.92 92.38 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.357 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -62.7 -41.08 98.94 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.148 0.905 . . . . 0.0 111.182 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.78 77.95 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.789 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.77 -42.75 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 124.111 0.882 . . . . 0.0 110.139 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' ARG . . . . . 0.498 HH22 ' HH ' ' D' ' 6' ' ' TYR . 57.9 ttp180 -55.6 -45.92 77.37 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.254 0.971 . . . . 0.0 110.529 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 . . . . . 0 CA--C 1.536 0.43 0 O-C-N 123.666 0.604 . . . . 0.0 110.205 178.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -80.23 -59.86 2.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.408 ' N ' HD22 ' C' ' 34' ' ' ASN . 57.0 mt -62.66 -46.22 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.292 -175.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.405 HD22 ' N ' ' E' ' 33' ' ' ILE . 33.2 m120 -61.21 -41.1 96.24 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.555 0.616 . . . . 0.0 110.24 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.73 -43.84 81.06 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.829 0.705 . . . . 0.0 109.617 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -67.0 -53.23 33.44 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.634 0.584 . . . . 0.0 110.587 178.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 40.6 mt -55.26 -46.04 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.53 -42.96 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 125.27 1.607 . . . . 0.0 108.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.02 -42.5 99.82 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 123.549 0.531 . . . . 0.0 110.007 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.408 HD13 ' SG ' ' C' ' 41' ' ' CYS . 28.0 mm -64.68 -42.57 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 77.8 m -56.51 -47.85 78.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.69 -40.05 95.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.426 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.8 -25.36 56.3 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.492 0.495 . . . . 0.0 111.467 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.61 -34.65 70.04 Favored 'General case' 0 C--N 1.347 0.492 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.01 -41.13 89.84 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.75 -41.11 99.04 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' TYR . . . . . 0.433 ' HH ' HH22 ' E' ' 13' ' ' ARG . 91.1 t80 -61.28 -41.31 96.73 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.094 0.872 . . . . 0.0 109.616 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.58 -45.26 94.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.92 -46.51 87.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.729 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.74 -45.34 94.33 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.346 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -63.05 -41.22 99.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 124.212 0.945 . . . . 0.0 111.069 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.87 77.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.745 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.78 -42.75 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.141 0.901 . . . . 0.0 109.934 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 13' ' ' ARG . . . . . 0.433 HH22 ' HH ' ' E' ' 6' ' ' TYR . 53.9 ttp180 -55.46 -44.01 76.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.183 0.927 . . . . 0.0 110.026 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.466 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.54 -59.31 2.8 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . 0.405 ' N ' HD22 ' D' ' 34' ' ' ASN . 58.9 mt -64.11 -45.38 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.839 -175.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 33' ' ' ILE . 32.7 m120 -61.02 -40.52 93.89 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.664 0.665 . . . . 0.0 109.885 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -57.97 -44.27 86.97 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.869 0.731 . . . . 0.0 109.247 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.86 -55.33 17.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 118.177 -0.915 . . . . 0.0 109.713 178.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' E' ' 40' ' ' ILE . 36.9 mt -47.75 -73.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -32.97 -46.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 125.637 1.836 . . . . 0.0 110.116 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.38 -44.29 91.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 122.438 -0.164 . . . . 0.0 110.849 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.44 HD13 ' SG ' ' D' ' 41' ' ' CYS . 2.0 mm -61.66 -43.65 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 50.1 m -57.04 -46.95 82.03 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 123.617 0.573 . . . . 0.0 109.544 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.15 -39.1 93.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.323 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.64 -25.03 58.94 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.525 0.516 . . . . 0.0 111.456 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.05 -34.76 69.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.19 -41.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.45 -40.68 97.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.599 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -34.71 76.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.38 -42.45 96.15 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.26 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.29 -45.23 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 123.949 0.78 . . . . 0.0 108.898 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -59.67 -47.65 84.8 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.816 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.485 ' HH ' HH22 ' A' ' 13' ' ' ARG . 88.7 t80 -62.85 -40.74 98.4 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.784 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.86 -43.11 99.5 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.086 0.866 . . . . 0.0 109.587 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -62.42 -45.57 92.48 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.39 -42.96 99.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.027 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -64.59 -40.07 94.86 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.101 0.875 . . . . 0.0 110.713 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.5 93.87 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.89 -42.78 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 124.149 0.906 . . . . 0.0 108.896 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.485 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.9 ttp180 -59.34 -42.1 90.73 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.541 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -69.47 -40.96 76.81 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.191 178.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.4 134.43 54.56 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.851 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -133.45 126.74 31.83 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.59 139.7 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 123.573 0.546 . . . . 0.0 111.263 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -140.64 167.85 21.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.047 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.464 ' H ' HD21 ' A' ' 27' ' ' ASN . 13.9 mtt -57.58 139.76 80.93 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.665 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.56 -62.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.11 0 C-N-CA 122.265 1.977 . . . . 0.0 112.61 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.68 -40.66 92.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.419 HE22 ' N ' ' B' ' 24' ' ' ALA . 78.0 mt-30 -99.56 43.79 1.05 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' HE22 ' E' ' 23' ' ' GLN . . . -65.36 -63.24 1.15 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.48 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' E' ' 27' ' ' ASN . 0.0 OUTLIER -62.71 -16.15 56.06 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.592 0.558 . . . . 0.0 111.46 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.23 -48.62 41.43 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.464 HD21 ' H ' ' A' ' 20' ' ' MET . 7.7 t-20 -62.98 -39.32 94.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 113.856 -1.52 . . . . 0.0 110.041 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -36.8 85.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -66.59 -39.68 88.54 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.67 -43.62 98.33 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.98 -39.71 93.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.456 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -82.85 -58.72 2.76 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' N ' HD22 ' E' ' 34' ' ' ASN . 58.7 mt -61.92 -47.1 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 118.923 -0.56 . . . . 0.0 112.503 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.443 HD22 ' N ' ' B' ' 33' ' ' ILE . 32.8 m120 -62.76 -41.41 99.21 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.306 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -57.01 -45.72 82.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 123.289 0.368 . . . . 0.0 110.053 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -51.41 61.55 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.407 1.067 . . . . 0.0 110.182 179.068 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.64 -44.83 90.17 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 123.606 0.566 . . . . 0.0 111.16 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.28 -42.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.464 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -63.27 -42.73 99.17 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 HG22 ' A' ' 40' ' ' ILE . 1.2 mm -63.87 -43.99 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 123.681 0.613 . . . . 0.0 109.533 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.7 m -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.47 -39.06 93.45 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.549 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -73.31 -25.99 60.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.243 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.56 -36.68 65.64 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.5 mt -61.55 -41.14 89.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.52 -42.25 98.54 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.47 -43.63 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -62.27 -45.65 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 124.051 0.844 . . . . 0.0 110.739 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.67 -46.95 95.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.804 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.3 mmm -62.64 -50.43 71.25 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.079 0.862 . . . . 0.0 109.202 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.36 -41.65 72.86 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.014 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.549 0.909 0 CA-C-O 117.682 -1.151 . . . . 0.0 109.797 178.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.83 -34.45 75.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.19 -42.53 96.61 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.328 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.3 -45.44 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 124.004 0.815 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -59.34 -47.96 83.42 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 124.235 0.96 . . . . 0.0 109.743 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.478 ' HH ' HH22 ' B' ' 13' ' ' ARG . 88.3 t80 -62.85 -40.71 98.29 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.047 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.03 -43.29 99.16 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.287 0.992 . . . . 0.0 109.552 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.16 -45.33 93.89 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.52 -42.99 99.88 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.172 0.92 . . . . 0.0 109.864 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -40.16 95.04 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.062 0.851 . . . . 0.0 110.609 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.49 94.48 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.871 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.91 -42.69 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.859 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.478 HH22 ' HH ' ' B' ' 6' ' ' TYR . 50.0 ttp180 -59.4 -42.2 91.19 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.36 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.406 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -69.45 -41.07 76.73 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.904 0.753 . . . . 0.0 110.197 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 134.55 54.75 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.01 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.25 126.71 32.1 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.62 139.52 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.195 0.522 . . . . 0.0 111.151 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -140.74 168.0 20.83 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.462 ' H ' HD21 ' B' ' 27' ' ' ASN . 15.4 mtt -57.44 139.49 80.57 Favored Pre-proline 0 N--CA 1.482 1.15 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.695 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.95 -63.82 0.04 OUTLIER 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.17 1.913 . . . . 0.0 112.427 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.25 -40.18 93.67 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.681 0.613 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.45 HE22 ' N ' ' C' ' 24' ' ' ALA . 79.3 mt-30 -99.32 42.52 1.1 Allowed 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.263 0.977 . . . . 0.0 109.622 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.419 ' N ' HE22 ' A' ' 23' ' ' GLN . . . -64.31 -62.7 1.44 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.527 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -63.05 -15.52 56.81 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.256 0.347 . . . . 0.0 111.434 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.64 -46.77 44.7 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.462 HD21 ' H ' ' B' ' 20' ' ' MET . 7.5 t-20 -64.09 -39.49 94.16 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.106 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.8 -37.82 88.89 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.53 -43.46 98.76 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.75 -41.34 99.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.431 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -80.94 -59.42 2.68 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.443 ' N ' HD22 ' A' ' 34' ' ' ASN . 61.9 mt -62.07 -48.08 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -61.97 -40.87 97.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.291 0.496 . . . . 0.0 110.623 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.65 -46.58 84.03 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 123.724 0.64 . . . . 0.0 109.797 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.887 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.03 -37.21 81.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.944 0.777 . . . . 0.0 112.307 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.79 -46.6 71.5 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.669 0.747 . . . . 0.0 109.727 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.32 -42.19 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.824 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.1 -42.85 99.63 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.53 0.518 . . . . 0.0 110.052 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.79 -43.29 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 80.0 m -58.01 -48.66 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.939 0.774 . . . . 0.0 109.795 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.31 -39.98 96.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.465 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.84 -25.05 60.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.21 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.14 -36.06 64.13 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.54 -41.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.86 -43.38 97.8 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.719 0.637 . . . . 0.0 109.401 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -61.56 -44.99 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.263 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.93 -44.18 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 94.3 mmm -71.14 -27.56 63.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.726 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -42.69 75.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.423 179.263 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -61.66 -34.11 75.13 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.63 -42.32 95.57 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.302 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.99 -44.07 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.31 -47.47 85.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.258 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.458 ' HH ' HH22 ' C' ' 13' ' ' ARG . 89.1 t80 -63.78 -40.23 96.18 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.811 0.694 . . . . 0.0 109.743 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.46 -42.13 99.26 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.165 0.916 . . . . 0.0 109.574 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.93 -46.29 88.49 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.77 -42.3 99.62 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 124.263 0.977 . . . . 0.0 109.91 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.433 ' HG ' ' NH2' ' C' ' 13' ' ' ARG . 42.0 t -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.019 0.928 . . . . 0.0 110.421 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.4 90.87 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.101 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -42.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.157 0.911 . . . . 0.0 109.041 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.458 HH22 ' HH ' ' C' ' 6' ' ' TYR . 48.7 ttp180 -59.58 -41.71 90.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.397 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.435 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER -69.29 -40.96 77.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.306 178.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 134.26 54.3 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -133.95 126.71 30.92 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.59 139.49 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.401 0.619 . . . . 0.0 111.29 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -140.37 167.81 21.27 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.085 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' MET . . . . . 0.487 ' H ' HD21 ' C' ' 27' ' ' ASN . 16.3 mtt -57.54 139.28 81.23 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.39 -62.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.323 2.015 . . . . 0.0 112.469 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.15 -40.61 94.62 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.627 0.579 . . . . 0.0 110.292 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . 0.421 HE22 ' N ' ' D' ' 24' ' ' ALA . 77.2 mt-30 -99.87 43.42 1.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.846 1.341 . . . . 0.0 110.073 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.45 ' N ' HE22 ' B' ' 23' ' ' GLN . . . -65.91 -62.84 1.27 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' B' ' 27' ' ' ASN . 0.0 OUTLIER -62.72 -15.44 52.9 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 123.724 0.64 . . . . 0.0 111.616 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.71 -47.41 31.6 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.487 HD21 ' H ' ' C' ' 20' ' ' MET . 7.5 t-20 -62.37 -38.84 91.14 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 124.919 1.387 . . . . 0.0 110.655 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.47 -37.47 87.65 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.33 -39.38 89.19 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.66 -44.01 97.36 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.8 -39.66 92.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.165 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -82.04 -59.23 2.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -46.78 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.428 HD22 ' N ' ' D' ' 33' ' ' ILE . 32.3 m120 -60.91 -41.46 96.15 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.987 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -58.75 -45.53 89.5 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 123.437 0.461 . . . . 0.0 109.842 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.81 -53.29 56.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.318 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.7 mt -53.3 -74.47 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -32.73 -45.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 124.746 1.279 . . . . 0.0 111.666 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.95 -47.11 86.36 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.456 HG22 HD12 ' C' ' 40' ' ' ILE . 49.4 mt -64.31 -41.93 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.122 0.889 . . . . 0.0 109.699 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 57.8 m -55.43 -47.95 75.18 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.08 -37.81 88.78 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.546 1.154 . . . . 0.0 110.742 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.59 -26.86 61.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.531 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -38.01 70.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.4 -41.12 88.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.94 -42.92 99.15 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.705 0.628 . . . . 0.0 109.409 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.85 -41.95 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -61.25 -45.38 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.636 0.774 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.32 -45.69 95.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -67.07 -29.31 69.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.049 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -73.77 -41.61 62.22 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 CA--C 1.541 0.634 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.747 178.618 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.85 -34.48 76.05 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.16 -42.45 96.74 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.334 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.85 -44.73 96.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 O-C-N 124.031 0.832 . . . . 0.0 108.858 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.68 -47.95 83.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.585 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.484 ' HH ' HH22 ' D' ' 13' ' ' ARG . 87.8 t80 -63.03 -40.49 97.9 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 123.927 0.767 . . . . 0.0 109.778 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.09 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.765 0.665 . . . . 0.0 109.473 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -61.87 -45.66 92.79 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.42 -43.06 99.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.961 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.38 -40.21 95.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.077 0.861 . . . . 0.0 110.727 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.3 93.77 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.729 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.95 -42.74 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.845 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.484 HH22 ' HH ' ' D' ' 6' ' ' TYR . 50.0 ttp180 -59.16 -42.08 89.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.596 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -41.01 76.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.242 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 134.38 54.38 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.24 126.58 31.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.35 139.41 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 123.557 0.535 . . . . 0.0 111.279 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -140.46 167.72 21.49 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.124 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' MET . . . . . 0.449 ' H ' HD21 ' D' ' 27' ' ' ASN . 15.6 mtt -57.24 139.41 79.78 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 119.149 -0.453 . . . . 0.0 110.618 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.55 -62.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.167 0 C-N-CA 122.094 1.862 . . . . 0.0 112.623 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.49 -40.77 93.49 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.944 0.778 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . 0.431 HE22 ' N ' ' E' ' 24' ' ' ALA . 78.0 mt-30 -99.16 42.72 1.09 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . 0.421 ' N ' HE22 ' C' ' 23' ' ' GLN . . . -64.01 -62.96 1.3 Allowed 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.461 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -63.09 -15.8 57.82 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.755 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.64 -46.49 46.39 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.449 HD21 ' H ' ' D' ' 20' ' ' MET . 7.5 t-20 -64.59 -38.82 92.34 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.552 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.14 -37.7 88.26 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.11 -39.99 90.38 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.75 -43.37 98.99 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.53 -41.2 98.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.558 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -81.29 -59.54 2.6 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.428 ' N ' HD22 ' C' ' 34' ' ' ASN . 60.7 mt -62.21 -47.41 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.543 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -61.92 -41.23 97.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.595 0.634 . . . . 0.0 110.517 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.36 -46.07 83.73 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -68.3 -38.24 81.42 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.015 0.822 . . . . 0.0 111.908 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 42.3 mt -67.39 -44.92 77.72 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.858 0.837 . . . . 0.0 110.228 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.53 -42.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.588 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -60.56 -44.65 95.91 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.434 HG22 HD12 ' D' ' 40' ' ' ILE . 1.1 mm -64.04 -42.96 97.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.946 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.9 m -58.28 -48.25 81.06 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 124.034 0.833 . . . . 0.0 109.379 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.51 -39.7 95.12 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.534 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 tp -73.6 -25.84 60.52 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.39 -37.17 68.79 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.99 -41.35 90.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.27 -41.89 97.71 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.35 -42.96 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mm -61.76 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 124.595 1.185 . . . . 0.0 111.056 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.62 -45.43 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 82.3 mmm -67.18 -30.46 70.43 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 125.172 1.545 . . . . 0.0 110.554 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.67 -42.46 61.28 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 121.764 0.792 . . . . 0.0 109.129 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--O 1.218 -0.556 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.551 178.349 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.54 -34.57 75.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.29 -42.3 96.47 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.377 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.8 -44.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 123.989 0.806 . . . . 0.0 108.974 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -60.58 -47.83 84.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.635 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.484 ' HH ' HH22 ' E' ' 13' ' ' ARG . 88.1 t80 -63.41 -40.78 98.11 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 123.864 0.728 . . . . 0.0 109.916 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.665 0.603 . . . . 0.0 109.513 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.74 -45.73 91.36 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.33 -43.03 99.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.911 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.47 -39.91 94.71 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.641 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.29 93.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -65.0 -42.67 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 124.094 0.871 . . . . 0.0 108.871 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.484 HH22 ' HH ' ' E' ' 6' ' ' TYR . 50.0 ttp180 -59.45 -42.13 91.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.47 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -40.96 76.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.189 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 134.39 54.51 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.989 0.806 . . . . 0.0 110.884 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.84 126.82 31.33 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.73 139.55 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.709 0.631 . . . . 0.0 111.245 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.5 167.79 21.33 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.101 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' MET . . . . . 0.457 ' H ' HD21 ' E' ' 27' ' ' ASN . 14.4 mtt -57.52 139.45 80.96 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.614 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.6 -62.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.509 2.431 0 C-N-CA 122.343 2.029 . . . . 0.0 112.44 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.52 -40.97 93.59 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.3 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . 0.42 HE22 ' N ' ' A' ' 24' ' ' ALA . 77.8 mt-30 -99.63 42.86 1.08 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.54 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . 0.431 ' N ' HE22 ' D' ' 23' ' ' GLN . . . -64.33 -63.6 1.1 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.136 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -62.15 -16.57 53.67 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.767 0.667 . . . . 0.0 111.276 -179.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -73.76 -47.98 35.03 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.457 HD21 ' H ' ' E' ' 20' ' ' MET . 7.4 t-20 -62.05 -38.87 90.4 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.496 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.72 -36.89 85.76 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -66.71 -39.48 88.04 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.89 -39.67 95.19 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -82.09 -60.02 2.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.426 HD13 HG22 ' E' ' 33' ' ' ILE . 56.9 mt -61.51 -47.58 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' ' 33' ' ' ILE . 32.8 m120 -61.72 -40.71 96.03 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.81 -45.4 86.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.946 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.87 -52.94 57.71 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 122.861 0.465 . . . . 0.0 110.36 178.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.37 -43.98 92.8 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.796 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.67 -43.4 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.81 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.461 HD12 HG22 ' E' ' 40' ' ' ILE . 53.7 mt -66.32 -42.12 90.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 123.437 0.461 . . . . 0.0 110.235 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.3 m -56.34 -48.68 76.28 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.09 -39.77 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.341 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tp -65.16 -50.72 64.89 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.05 -35.67 62.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.68 0.392 . . . . 0.0 110.029 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.23 -42.14 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.57 -38.44 91.0 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -63.38 -44.9 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 124.553 1.158 . . . . 0.0 110.596 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -62.37 -46.52 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.581 0.551 . . . . 0.0 109.583 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 123.919 0.762 . . . . 0.0 108.987 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.51 -41.15 72.7 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.218 0.949 . . . . 0.0 110.041 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.926 178.181 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.79 -36.89 82.4 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.96 -41.63 95.3 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.686 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.74 -45.15 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 124.006 0.816 . . . . 0.0 109.056 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -62.65 -42.81 99.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.52 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.474 ' HH ' HH22 ' A' ' 13' ' ' ARG . 89.7 t80 -61.8 -40.92 96.9 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.908 0.755 . . . . 0.0 109.189 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -43.3 99.11 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.981 0.8 . . . . 0.0 109.024 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 m -62.4 -46.3 89.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.194 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.34 -41.63 98.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.316 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.85 -41.31 97.83 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.915 0.76 . . . . 0.0 110.305 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.19 94.17 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.63 -42.46 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.812 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.474 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.4 ttp180 -61.5 -40.05 93.19 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.177 0.923 . . . . 0.0 110.224 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.412 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -68.0 -17.35 64.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.704 179.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.41 17.71 7.01 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.872 0.733 . . . . 0.0 111.151 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -149.85 -95.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.15 130.19 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.461 0.705 . . . . 0.0 109.19 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -134.5 43.54 2.76 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.391 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -154.64 122.11 2.87 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.503 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.1 106.57 2.3 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.288 1.992 . . . . 0.0 111.876 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.95 -31.61 72.93 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.724 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -55.91 -31.62 63.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.937 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.67 47.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.619 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -59.92 -36.11 76.32 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.011 0.91 . . . . 0.0 108.965 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -64.16 -41.25 97.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.946 -1.933 . . . . 0.0 109.358 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -22.57 37.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.829 0.705 . . . . 0.0 111.933 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.87 -40.06 96.35 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.455 HE22 ' NE2' ' E' ' 29' ' ' GLN . 56.8 tt0 -53.96 -35.77 62.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.967 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -43.86 90.53 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.634 1.209 . . . . 0.0 110.925 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.19 -46.67 85.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.91 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.57 -49.71 70.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.325 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.97 -43.93 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.14 -40.78 98.57 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 123.652 0.595 . . . . 0.0 109.909 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -54.41 -48.04 72.07 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.589 0.555 . . . . 0.0 111.127 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.8 OUTLIER -64.93 -49.61 69.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 123.295 0.372 . . . . 0.0 110.286 179.31 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.15 -42.58 91.04 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.107 0.88 . . . . 0.0 110.471 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.86 -42.32 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 124.442 1.089 . . . . 0.0 108.978 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.7 -43.0 99.69 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.724 0.64 . . . . 0.0 109.333 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.65 -42.34 94.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.164 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 74.1 m -60.49 -48.55 81.26 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 124.304 1.002 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.49 -40.84 96.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.609 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.2 tp -78.42 -20.45 51.07 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.705 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -33.03 70.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.353 0.978 . . . . 0.0 109.147 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.39 -42.75 97.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.302 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -64.36 -38.99 92.97 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.7 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.23 -43.01 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.04 -44.91 97.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 O-C-N 124.045 0.841 . . . . 0.0 110.874 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.82 -43.98 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.912 0.757 . . . . 0.0 108.962 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.3 mmm -67.29 -34.92 78.42 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.501 1.125 . . . . 0.0 110.529 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.75 -38.08 73.47 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.307 177.337 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.19 -36.69 82.66 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.83 -41.63 95.6 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.716 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.86 -45.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -62.46 -42.4 99.44 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.675 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.502 ' HH ' HH22 ' B' ' 13' ' ' ARG . 89.8 t80 -61.84 -41.24 97.56 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.153 0.908 . . . . 0.0 109.184 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -42.78 99.48 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.003 0.815 . . . . 0.0 109.023 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -62.4 -46.7 87.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.264 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -62.31 -41.62 98.69 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.334 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.12 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.3 88.79 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.274 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.22 -44.66 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.502 HH22 ' HH ' ' B' ' 6' ' ' TYR . 10.3 ptt180 -71.4 -23.41 61.87 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.492 0.495 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.416 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 -70.45 -18.48 63.0 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.19 14.69 6.2 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.092 0.87 . . . . 0.0 111.354 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.8 m -148.96 -94.66 0.07 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.199 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.2 pt -114.79 131.56 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.407 0.683 . . . . 0.0 109.378 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -136.18 42.77 2.55 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.302 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttp -154.34 121.92 2.91 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.73 106.72 2.31 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.179 1.919 . . . . 0.0 111.898 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -64.89 -30.92 71.94 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.811 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.83 -31.36 64.66 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.076 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 46.76 0.49 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.63 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -59.65 -35.39 74.33 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -65.11 -39.91 93.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 112.776 -2.011 . . . . 0.0 109.769 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.21 -22.99 35.65 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.816 0.697 . . . . 0.0 111.811 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.14 -39.81 95.77 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.452 ' NE2' HE22 ' C' ' 29' ' ' GLN . 58.3 tt0 -53.69 -35.93 61.64 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.304 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -44.22 91.69 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.653 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.74 -46.92 85.85 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.313 0.383 . . . . 0.0 111.694 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.75 -49.33 71.19 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.929 0.768 . . . . 0.0 112.058 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.46 -43.96 87.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 123.449 0.468 . . . . 0.0 110.386 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -62.99 -40.6 98.25 Favored 'General case' 0 C--O 1.209 -1.056 0 O-C-N 123.588 0.555 . . . . 0.0 109.887 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -54.73 -49.3 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.279 0.362 . . . . 0.0 111.106 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -64.4 -47.94 77.3 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.58 0.55 . . . . 0.0 109.997 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -58.36 -44.58 88.87 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 123.185 0.594 . . . . 0.0 110.125 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.66 -42.9 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.584 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.55 -42.78 99.34 Favored 'General case' 0 C--O 1.25 1.086 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.05 -42.69 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 71.1 m -60.94 -49.51 77.15 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 124.163 0.914 . . . . 0.0 110.185 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.04 -42.28 94.07 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 124.292 0.995 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 tp -70.37 -47.72 59.64 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.269 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -34.97 4.52 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.105 0.866 . . . . 0.0 111.77 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.43 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -66.57 -35.69 80.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.429 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.25 -43.63 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.62 -44.69 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.326 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.15 -44.04 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 124.113 0.883 . . . . 0.0 109.577 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.6 mmm -66.74 -34.4 77.75 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.928 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.58 -37.95 74.01 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.963 177.674 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.55 -36.73 83.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.72 -41.82 95.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.605 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.89 -45.3 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 124.046 0.841 . . . . 0.0 108.838 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -62.26 -42.76 99.61 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 124.143 0.902 . . . . 0.0 109.62 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.457 ' HH ' HH22 ' C' ' 13' ' ' ARG . 89.6 t80 -61.91 -40.89 97.0 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.919 0.762 . . . . 0.0 109.26 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -43.02 99.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.993 0.808 . . . . 0.0 109.057 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -62.45 -46.38 88.77 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.3 -41.77 98.8 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.246 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.92 0.763 . . . . 0.0 110.432 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.14 94.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.8 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.6 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.878 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.457 HH22 ' HH ' ' C' ' 6' ' ' TYR . 49.5 ttp180 -61.35 -40.1 93.0 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.268 0.98 . . . . 0.0 110.218 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.421 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -68.0 -17.45 64.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.646 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.23 17.64 7.11 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.847 0.717 . . . . 0.0 111.193 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -149.88 -95.81 0.07 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.19 130.02 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.38 0.672 . . . . 0.0 109.266 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -134.39 43.36 2.79 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.408 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -154.53 122.0 2.88 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.523 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.95 106.75 2.33 Favored 'Trans proline' 0 N--CA 1.502 2.018 0 C-N-CA 122.267 1.978 . . . . 0.0 111.839 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -64.99 -31.09 72.17 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.735 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.49 -31.09 63.71 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.199 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.41 46.15 0.41 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.959 -1.018 . . . . 0.0 112.677 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -59.75 -35.55 74.82 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -65.13 -40.77 94.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.053 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.66 -22.76 34.52 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.014 0.821 . . . . 0.0 111.71 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.41 -39.76 95.38 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.452 HE22 ' NE2' ' B' ' 29' ' ' GLN . 56.5 tt0 -53.54 -35.49 60.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.092 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -44.1 91.95 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.869 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.5 -46.72 84.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.877 0.735 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.06 -49.47 72.19 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.089 0.868 . . . . 0.0 112.331 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -67.01 -43.77 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.341 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.8 -40.23 96.71 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.605 0.566 . . . . 0.0 109.608 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.03 -48.24 76.35 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.281 0.363 . . . . 0.0 111.212 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -63.27 -50.85 68.53 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' C' ' 40' ' ' ILE . 67.1 mt -52.8 -72.41 0.05 Allowed 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -34.12 -44.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.22 -45.85 91.48 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 110.369 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' C' ' 37' ' ' LEU . 25.8 mm -62.58 -42.4 95.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.4 m -59.41 -49.58 77.27 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.509 1.13 . . . . 0.0 109.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.82 -40.21 91.91 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.011 0.82 . . . . 0.0 109.837 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 tp -77.84 -20.23 53.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.9 0.75 . . . . 0.0 110.586 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -33.31 69.69 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 119.359 0.981 . . . . 0.0 108.848 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.65 -42.71 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.59 -38.53 91.32 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.792 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.96 -43.54 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.83 -45.13 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.381 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.99 -44.69 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 66.4 mmm -66.84 -35.04 79.14 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.741 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 45.1 tp -69.93 -38.16 76.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.157 177.584 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.95 -36.78 82.43 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.63 -41.9 95.84 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.535 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 124.121 0.888 . . . . 0.0 108.829 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -62.81 -42.8 99.87 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.514 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.457 ' HH ' HH22 ' D' ' 13' ' ' ARG . 89.7 t80 -61.72 -40.79 96.29 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.992 0.807 . . . . 0.0 109.232 177.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -43.2 99.32 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -62.49 -46.17 89.69 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.44 -41.63 98.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.284 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.84 -41.29 97.85 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.927 0.767 . . . . 0.0 110.425 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.08 94.42 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.736 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.83 -42.37 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.892 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.457 HH22 ' HH ' ' D' ' 6' ' ' TYR . 49.5 ttp180 -61.5 -39.95 92.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.167 0.917 . . . . 0.0 110.155 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.407 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -68.11 -17.32 64.33 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.643 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.41 17.69 7.01 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.758 0.662 . . . . 0.0 111.061 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -149.89 -95.79 0.07 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.842 0.714 . . . . 0.0 109.083 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.38 130.15 69.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 123.398 0.679 . . . . 0.0 109.28 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -134.47 44.11 2.71 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.323 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttp -155.21 121.37 2.66 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.58 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.81 106.74 2.32 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.371 2.047 . . . . 0.0 111.858 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.56 -31.03 72.07 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.812 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.83 -31.41 64.72 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.183 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 48.04 0.58 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.768 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.79 -35.89 77.62 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.938 0.875 . . . . 0.0 108.677 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -65.26 -39.26 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.505 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.46 -23.16 32.35 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.886 0.741 . . . . 0.0 112.004 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.89 -39.84 95.73 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.448 HE22 ' NE2' ' C' ' 29' ' ' GLN . 58.1 tt0 -53.14 -35.63 59.92 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.143 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -43.53 93.51 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.76 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 123.372 0.42 . . . . 0.0 112.086 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.93 -50.11 69.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.026 0.829 . . . . 0.0 112.326 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.83 -43.71 89.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.22 -40.69 98.18 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 123.615 0.572 . . . . 0.0 110.17 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.52 -48.9 71.38 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.736 0.647 . . . . 0.0 111.304 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.57 -48.87 73.37 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 123.954 0.784 . . . . 0.0 110.567 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.92 -43.33 86.19 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.729 0.643 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.41 -43.03 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 124.949 1.406 . . . . 0.0 109.019 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.93 -43.14 99.46 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.65 -42.86 97.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 82.8 m -61.63 -48.45 80.83 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.987 0.805 . . . . 0.0 110.325 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -60.64 -42.41 96.89 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 124.16 0.913 . . . . 0.0 109.696 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 tp -69.67 -48.25 60.44 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -34.95 3.54 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.068 0.849 . . . . 0.0 112.123 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.58 -44.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -66.31 -35.59 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.419 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.95 -43.3 98.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 1.5 mm -64.53 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 124.132 0.973 . . . . 0.0 110.724 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.77 -43.73 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 124.058 0.849 . . . . 0.0 108.886 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mmm -67.41 -35.05 78.52 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.001 0.813 . . . . 0.0 110.701 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.91 -38.22 76.21 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 CA--C 1.547 0.852 0 CA-C-O 118.068 -0.968 . . . . 0.0 109.955 177.342 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.36 -36.57 82.65 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.68 -41.87 95.75 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.596 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.9 -44.81 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.122 0.889 . . . . 0.0 108.82 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -63.1 -42.43 99.58 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.083 0.864 . . . . 0.0 109.598 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.47 ' HH ' HH22 ' E' ' 13' ' ' ARG . 89.7 t80 -61.85 -40.77 96.49 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 124.051 0.844 . . . . 0.0 109.215 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -43.13 99.47 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.984 0.802 . . . . 0.0 108.987 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 14.0 m -62.64 -46.14 89.62 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.315 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.37 -41.75 98.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.231 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.86 -41.28 97.82 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.864 0.728 . . . . 0.0 110.361 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.15 94.34 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.73 -42.38 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.878 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.47 HH22 ' HH ' ' E' ' 6' ' ' TYR . 49.5 ttp180 -61.62 -39.96 93.14 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.23 0.956 . . . . 0.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.41 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -68.14 -17.28 64.31 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.584 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.26 17.83 7.08 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.729 0.643 . . . . 0.0 111.136 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -149.86 -96.0 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.22 130.23 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.383 0.673 . . . . 0.0 109.264 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -134.48 43.73 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.421 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -154.73 122.11 2.85 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.6 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 N--CA 1.502 2.027 0 C-N-CA 122.388 2.058 . . . . 0.0 111.857 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.98 -31.42 72.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.048 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.19 -31.68 63.67 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.477 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 47.38 0.48 Allowed 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.864 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -60.47 -35.29 75.53 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.174 0.988 . . . . 0.0 109.107 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.17 -39.48 92.98 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 112.536 -2.12 . . . . 0.0 109.338 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.13 -22.47 33.33 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.216 0.948 . . . . 0.0 112.058 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.87 -40.07 96.37 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . 0.455 ' NE2' HE22 ' A' ' 29' ' ' GLN . 57.5 tt0 -53.29 -35.59 60.26 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.196 177.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -43.87 92.56 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 124.292 0.995 . . . . 0.0 110.862 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.32 -46.86 84.7 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.672 0.607 . . . . 0.0 111.831 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.54 -49.63 70.48 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.159 0.912 . . . . 0.0 112.396 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.05 -44.1 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 123.43 0.457 . . . . 0.0 110.353 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -63.05 -40.57 98.11 Favored 'General case' 0 C--O 1.2 -1.507 0 O-C-N 123.487 0.492 . . . . 0.0 109.811 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -54.15 -48.8 70.45 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.283 0.365 . . . . 0.0 111.181 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.74 -48.93 72.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.045 0.45 . . . . 0.0 110.24 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.9 -42.74 94.52 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.76 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.33 -42.76 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 124.718 1.261 . . . . 0.0 108.485 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.7 -43.79 98.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.05 -42.18 94.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 123.707 0.63 . . . . 0.0 109.513 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 75.1 m -60.76 -48.37 82.09 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.989 0.806 . . . . 0.0 110.288 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.62 -42.17 96.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 124.291 0.995 . . . . 0.0 109.846 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.38 -48.44 56.26 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.21 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.35 -34.91 3.24 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.911 0.778 . . . . 0.0 111.705 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.47 -44.04 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -35.66 80.83 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.556 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.21 -43.98 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mm -64.27 -45.27 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.161 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.05 -44.05 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 123.73 0.643 . . . . 0.0 109.575 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 64.9 mmm -61.8 -60.48 3.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.89 -35.11 14.06 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 124.108 0.88 . . . . 0.0 110.616 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 118.26 -0.876 . . . . 0.0 109.877 177.279 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -37.73 81.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.34 -43.83 93.41 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.317 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.53 -45.08 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 124.03 0.831 . . . . 0.0 108.852 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.32 -47.87 77.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 124.06 0.85 . . . . 0.0 109.68 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 123.907 0.754 . . . . 0.0 109.59 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.87 -42.59 98.19 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.883 0.739 . . . . 0.0 109.644 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.8 m -62.62 -46.57 87.66 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -61.6 -43.76 98.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.774 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -65.59 -38.87 90.75 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.985 0.803 . . . . 0.0 110.426 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.73 93.09 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.841 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.97 -42.82 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.142 0.901 . . . . 0.0 109.047 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -58.47 -42.83 88.38 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.273 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -71.08 -40.36 71.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.952 178.557 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.48 -13.56 52.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.532 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -138.21 144.25 40.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.586 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.4 pt -99.45 142.05 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 124.218 0.949 . . . . 0.0 108.735 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -130.8 24.17 5.01 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.765 0.665 . . . . 0.0 110.405 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.36 -174.12 0.48 Allowed Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.254 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.81 -20.71 44.84 Favored 'Trans proline' 0 N--CA 1.509 2.393 0 C-N-CA 122.192 1.928 . . . . 0.0 110.164 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.37 -37.63 75.62 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.593 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -68.95 -43.4 75.09 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.684 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.89 17.71 7.48 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.004 0.43 . . . . 0.0 110.986 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -70.25 162.5 28.34 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.894 0.854 . . . . 0.0 112.115 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.97 -39.37 89.32 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.09 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.31 -46.61 89.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.26 -24.68 67.38 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 113.389 -1.732 . . . . 0.0 110.978 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.79 -32.14 73.55 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.59 -46.35 89.19 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.069 0.856 . . . . 0.0 108.885 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.55 96.86 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.608 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.38 -56.89 6.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 33' ' ' ILE . 68.1 mt -65.22 -44.83 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.017 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -60.63 -41.64 95.26 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -58.84 -46.25 88.14 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.399 0.437 . . . . 0.0 110.865 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -68.74 -38.93 80.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.614 0.572 . . . . 0.0 111.26 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.43 -44.31 91.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.044 0.926 . . . . 0.0 108.711 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.41 -39.82 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 112.28 -2.237 . . . . 0.0 107.664 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.23 -43.38 98.22 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.464 HD13 ' SG ' ' E' ' 41' ' ' CYS . 31.7 mm -62.43 -43.5 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 59.8 m -55.66 -49.17 73.62 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.475 0.655 . . . . 0.0 109.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.31 -39.78 92.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.045 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.9 -28.13 57.94 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.379 0.425 . . . . 0.0 111.741 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.49 -38.26 86.88 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.74 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.8 -36.83 82.25 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.37 -43.25 97.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.24 -42.88 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -44.35 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 123.381 0.426 . . . . 0.0 110.295 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.61 -71.75 0.33 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.647 0.592 . . . . 0.0 111.174 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.05 -47.52 85.98 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.804 0.842 . . . . 0.0 113.272 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.381 -178.091 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.16 -37.34 79.85 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.33 -43.67 93.92 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.479 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.59 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.95 0.781 . . . . 0.0 109.006 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.19 -48.16 79.46 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.275 0.984 . . . . 0.0 109.649 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.415 ' HH ' HH22 ' B' ' 13' ' ' ARG . 85.8 t80 -64.16 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.642 0.589 . . . . 0.0 109.693 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.18 -42.51 98.7 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.78 0.675 . . . . 0.0 109.777 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.73 -45.91 90.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.16 -43.65 98.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.79 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -65.46 -38.49 90.0 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.058 0.849 . . . . 0.0 110.563 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.9 92.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.723 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.93 -42.8 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 124.135 0.897 . . . . 0.0 108.972 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.415 HH22 ' HH ' ' B' ' 6' ' ' TYR . 50.7 ttp180 -58.45 -42.72 88.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.399 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.412 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -70.99 -40.44 71.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.081 178.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -13.53 48.79 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.622 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -140.63 142.95 34.95 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 pt -96.9 140.4 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 123.749 0.656 . . . . 0.0 109.781 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -121.34 11.74 10.8 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.676 0.61 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' B' ' 20' ' ' MET . 2.3 mmt -74.83 -176.82 0.58 Allowed Pre-proline 0 N--CA 1.482 1.162 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.597 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.52 -20.5 41.53 Favored 'Trans proline' 0 N--CA 1.512 2.607 0 C-N-CA 122.105 1.87 . . . . 0.0 110.574 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -57.74 -37.25 73.25 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.712 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.63 -42.57 82.08 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.918 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.11 18.63 7.8 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 123.349 0.405 . . . . 0.0 110.654 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -70.74 163.77 26.51 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.167 0.587 . . . . 0.0 112.217 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.402 HE22 ' NE2' ' B' ' 29' ' ' GLN . 52.6 mm-40 -60.81 -40.45 92.77 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 114.531 -1.213 . . . . 0.0 113.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.79 -45.74 93.21 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.56 -24.21 67.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.03 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.402 ' NE2' HE22 ' B' ' 26' ' ' GLN . 48.8 tt0 -64.41 -33.64 76.33 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.49 -47.05 82.96 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 124.284 0.99 . . . . 0.0 108.87 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.07 -44.87 96.72 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.636 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -69.06 -56.51 7.51 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -65.45 -44.44 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.371 0.419 . . . . 0.0 111.107 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -60.71 -42.17 96.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -58.61 -46.35 87.21 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.57 0.543 . . . . 0.0 110.463 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.8 t -68.52 -39.15 81.33 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.515 0.51 . . . . 0.0 111.542 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.57 -43.61 93.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.049 0.928 . . . . 0.0 108.79 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.3 -39.54 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 112.53 -2.123 . . . . 0.0 107.475 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.21 -43.01 99.33 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.433 HD13 ' SG ' ' A' ' 41' ' ' CYS . 25.7 mm -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 60.6 m -55.95 -49.5 73.37 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.228 0.537 . . . . 0.0 109.831 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.97 -39.84 94.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.197 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.8 -27.87 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.894 0.478 . . . . 0.0 111.717 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.2 mt -67.1 -38.34 85.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.74 -42.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.26 -36.96 83.67 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.27 -42.51 95.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 18.2 mm -60.79 -42.97 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.02 -47.06 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 123.308 0.38 . . . . 0.0 110.662 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.84 -41.66 64.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 tp -88.92 -53.9 4.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.27 -178.307 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.44 -37.36 80.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.7 -43.53 93.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.424 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.68 -44.62 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 124.034 0.834 . . . . 0.0 108.869 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.86 -48.19 78.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.377 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.408 ' HH ' HH22 ' C' ' 13' ' ' ARG . 84.8 t80 -64.47 -41.09 96.71 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.64 0.587 . . . . 0.0 109.728 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.96 -42.67 98.72 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.765 0.666 . . . . 0.0 109.797 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.7 m -62.5 -45.99 90.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.14 -43.62 98.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.924 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.8 m -65.4 -38.68 90.71 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.511 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.96 92.57 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.765 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.84 -42.9 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.138 0.898 . . . . 0.0 108.988 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.419 HH21 ' NH2' ' C' ' 14' ' ' ARG . 50.8 ttp180 -58.61 -42.51 88.3 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.301 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.419 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -71.15 -40.24 71.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.009 178.41 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -13.6 51.86 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.363 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -138.18 144.38 40.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.655 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 pt -99.71 141.61 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 124.174 0.921 . . . . 0.0 108.821 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -130.39 23.94 5.15 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.797 0.686 . . . . 0.0 110.409 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.2 -174.13 0.48 Allowed Pre-proline 0 CA--C 1.55 0.979 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.338 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.54 -21.21 45.08 Favored 'Trans proline' 0 N--CA 1.511 2.535 0 C-N-CA 122.114 1.876 . . . . 0.0 110.206 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -57.92 -36.68 72.83 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.79 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.49 -44.05 71.91 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.796 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.95 17.16 7.09 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.864 0.364 . . . . 0.0 111.005 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -69.49 162.75 26.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.73 0.776 . . . . 0.0 112.072 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -60.61 -40.54 92.22 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 114.036 -1.438 . . . . 0.0 113.034 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -59.94 -46.55 89.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.06 -24.33 67.44 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.594 -1.639 . . . . 0.0 110.981 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -64.0 -32.31 73.81 Favored 'General case' 0 C--N 1.358 0.962 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.29 -46.94 87.2 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.13 -44.26 97.6 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.943 0.777 . . . . 0.0 111.419 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.44 -56.84 6.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.09 -44.61 95.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 119.332 -0.366 . . . . 0.0 110.812 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -61.08 -41.83 97.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.456 -0.498 . . . . 0.0 109.8 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -57.22 -45.74 83.57 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.052 0.22 . . . . 0.0 110.442 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -66.53 -51.27 58.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.451 0.469 . . . . 0.0 110.306 179.113 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.02 -44.12 74.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 123.707 0.63 . . . . 0.0 109.387 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.51 -42.3 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.457 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.0 mt -62.66 -41.73 99.23 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.459 HD13 ' SG ' ' B' ' 41' ' ' CYS . 37.8 mm -63.02 -43.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.8 m -56.47 -48.74 76.46 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.447 0.467 . . . . 0.0 109.874 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.96 -40.26 94.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.004 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.1 -27.92 60.06 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.929 0.492 . . . . 0.0 111.389 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.43 -38.13 84.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.01 -42.46 95.76 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -62.09 -36.98 83.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.715 0.634 . . . . 0.0 109.314 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.03 -42.74 96.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mm -60.83 -42.96 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.68 -47.43 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.142 0.276 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 94.8 mmm -72.53 -40.94 66.38 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 54.3 tp -90.41 -54.27 4.08 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 CA--C 1.562 1.414 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.373 -178.182 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.93 -37.48 82.47 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.32 -44.22 92.24 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 124.165 0.915 . . . . 0.0 109.464 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.12 -45.57 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 124.0 0.813 . . . . 0.0 108.915 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -55.58 -48.0 75.53 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.31 1.006 . . . . 0.0 109.657 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -64.43 -40.64 96.15 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 123.875 0.734 . . . . 0.0 109.659 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.11 -41.68 97.14 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.588 0.555 . . . . 0.0 109.985 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 21.7 m -63.1 -46.91 85.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -61.27 -43.71 98.43 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.915 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -38.82 90.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.573 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.76 92.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.843 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.95 -42.72 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 124.063 0.852 . . . . 0.0 109.005 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.425 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.8 ttp180 -58.49 -42.92 88.7 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.346 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.425 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.69 -40.53 72.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.132 178.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 -13.58 52.5 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.45 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -138.28 144.31 40.43 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.747 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.1 pt -99.67 142.06 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 124.308 1.005 . . . . 0.0 108.7 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -131.05 24.3 4.93 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.711 0.632 . . . . 0.0 110.468 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.34 -173.87 0.46 Allowed Pre-proline 0 CA--C 1.55 0.959 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.344 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.66 -21.0 45.01 Favored 'Trans proline' 0 N--CA 1.513 2.641 0 C-N-CA 121.897 1.731 . . . . 0.0 110.253 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.35 -37.24 74.78 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.742 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.55 -43.89 75.67 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.29 17.4 7.21 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.367 0.603 . . . . 0.0 111.319 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -69.6 164.26 23.7 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.078 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.13 -40.51 94.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.302 -1.772 . . . . 0.0 112.297 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.27 -25.05 67.48 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.629 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.83 -46.74 86.98 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.37 -44.82 96.5 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.856 0.722 . . . . 0.0 111.497 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.64 -56.75 7.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.16 -44.82 95.34 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.734 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -61.12 -41.62 97.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.651 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.49 -45.27 85.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.191 0.307 . . . . 0.0 110.517 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.3 t -67.19 -49.87 63.01 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.94 -43.65 77.63 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.2 -41.37 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 113.811 -1.54 . . . . 0.0 107.731 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 mt -62.55 -42.11 99.33 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.447 HD13 ' SG ' ' C' ' 41' ' ' CYS . 35.3 mm -63.36 -43.8 98.72 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 60.0 m -55.3 -49.51 71.95 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.59 -41.86 95.96 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.995 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.11 -51.5 60.97 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.27 -37.71 24.6 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.055 0.542 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.14 -43.72 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.52 -34.68 78.79 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.77 -42.91 97.5 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.881 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 17.1 mm -60.88 -43.01 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.26 -47.72 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.242 0.339 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 94.6 mmm -71.77 -41.6 68.18 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -91.54 -54.39 3.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 CA--C 1.563 1.48 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.001 -177.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.16 -37.42 80.08 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.5 -43.72 93.24 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.483 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.42 -44.73 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 123.976 0.797 . . . . 0.0 108.945 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -56.76 -48.16 78.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.383 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.402 ' HH ' HH22 ' E' ' 13' ' ' ARG . 85.0 t80 -64.56 -41.34 96.37 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.702 0.626 . . . . 0.0 109.741 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.78 -42.59 97.83 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.005 0.816 . . . . 0.0 109.712 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.67 -45.75 91.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -62.3 -43.48 98.73 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.919 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.45 -38.71 90.64 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.467 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.93 92.94 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.564 0.54 . . . . 0.0 109.811 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.1 -42.67 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.19 0.931 . . . . 0.0 108.97 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.415 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -58.49 -42.91 88.64 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.268 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.415 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.62 -40.51 73.1 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.168 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -13.51 50.08 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.566 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -138.6 144.34 39.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.603 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 pt -99.73 141.93 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.24 0.963 . . . . 0.0 108.734 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -130.87 24.19 4.99 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.809 0.693 . . . . 0.0 110.405 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 2.9 mmt -86.1 -174.15 0.48 Allowed Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.296 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.63 -21.29 46.16 Favored 'Trans proline' 0 N--CA 1.51 2.455 0 C-N-CA 122.039 1.826 . . . . 0.0 110.214 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.92 -37.23 73.69 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.8 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.08 -43.6 74.23 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.735 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.1 17.98 6.38 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.76 0.663 . . . . 0.0 110.786 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.25 164.34 25.88 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.753 0.787 . . . . 0.0 112.148 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -62.55 -40.04 95.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.015 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.47 -45.59 93.16 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.64 -25.14 67.23 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 125.26 1.6 . . . . 0.0 110.792 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.73 -32.65 74.22 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.93 -46.35 88.18 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.12 0.887 . . . . 0.0 109.087 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.01 -44.63 96.31 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.486 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.07 -56.99 6.86 Favored 'General case' 0 C--O 1.239 0.553 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 70.1 mt -65.46 -45.0 94.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.801 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.617 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.33 -46.25 89.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.418 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.8 t -68.28 -36.33 79.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.985 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' E' ' 40' ' ' ILE . 19.5 mt -62.63 -67.97 0.37 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.982 -2.97 . . . . 0.0 102.982 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 57.9 mt -37.64 -38.9 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.977 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.7 -46.34 85.94 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 122.165 -0.334 . . . . 0.0 110.609 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.463 HD13 ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.21 -42.77 94.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 36.4 m -55.85 -48.99 74.53 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.06 -40.88 95.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.297 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -65.35 -52.26 54.97 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 27.7 mt -48.34 -37.57 16.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.932 0.493 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.51 -44.1 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.7 -34.78 78.62 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.781 0.676 . . . . 0.0 109.538 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.03 -43.31 97.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 mm -61.22 -42.96 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 63.5 t -62.51 -44.96 99.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 O-C-N 123.344 0.402 . . . . 0.0 110.29 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.99 -72.22 0.28 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.734 0.646 . . . . 0.0 111.302 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.65 -47.33 85.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 CA--C 1.568 1.651 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.09 -177.621 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.29 -43.62 94.18 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.531 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -45.41 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 124.073 0.858 . . . . 0.0 108.966 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -57.06 -46.99 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.132 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.71 -40.16 94.89 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.756 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.99 -42.59 98.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.651 0.594 . . . . 0.0 109.973 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.86 -47.43 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.95 -43.99 97.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.792 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.26 -39.83 94.74 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.067 0.854 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.91 90.8 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.115 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.32 -42.64 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HE ' HH12 ' A' ' 14' ' ' ARG . 51.3 ttp180 -60.77 -41.82 96.26 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.008 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.441 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -70.22 -43.0 71.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.9 128.39 20.13 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 123.947 0.779 . . . . 0.0 111.259 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.3 m -58.22 -47.21 84.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.241 0.617 . . . . 0.0 110.004 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -92.67 126.04 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.102 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.62 142.63 28.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.342 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.417 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 74.3 mtp -73.69 -50.35 5.83 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.408 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 20' ' ' MET . 33.0 Cg_endo -63.26 141.2 81.15 Favored 'Trans proline' 0 N--CA 1.505 2.203 0 C-N-CA 122.108 1.872 . . . . 0.0 112.285 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.72 10.05 0.28 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -48.51 -23.08 0.86 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.85 1.26 . . . . 0.0 112.649 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 26' ' ' GLN . . . -86.51 135.1 33.58 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 mmt-85 -65.81 -2.25 3.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.072 0.858 . . . . 0.0 111.655 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 24' ' ' ALA . 88.4 mt-30 -70.07 -52.87 20.48 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 174.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.85 -37.09 80.89 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.177 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.9 -39.24 91.31 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.82 -38.42 86.42 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.139 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.34 -43.78 98.03 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.02 -41.85 98.52 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.167 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.31 -56.09 4.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' N ' HD22 ' E' ' 34' ' ' ASN . 63.7 mt -62.3 -45.75 98.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.656 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.444 HD22 ' N ' ' B' ' 33' ' ' ILE . 31.2 m120 -63.07 -40.77 98.66 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.384 0.427 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -57.52 -45.84 84.53 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -66.02 -49.12 68.88 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 123.399 0.437 . . . . 0.0 110.061 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.906 0.754 . . . . 0.0 111.266 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.67 -43.1 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.17 -42.52 99.34 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.785 0.678 . . . . 0.0 109.47 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.56 -43.75 98.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 80.1 m -56.97 -44.89 83.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.02 -33.94 76.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.09 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -74.91 -30.46 61.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.943 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.63 -39.52 91.55 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.3 -43.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.09 -36.09 83.2 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.937 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mt -62.82 -41.79 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.52 -42.83 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.684 0.615 . . . . 0.0 109.393 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.14 -44.4 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 90.0 mmm -66.59 -38.12 86.34 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.815 0.697 . . . . 0.0 110.012 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.57 -41.81 97.93 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 CA--C 1.543 0.69 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.249 177.252 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.41 -38.69 77.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.117 0.484 . . . . 0.0 110.24 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.526 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.38 -45.42 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.27 -47.05 82.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.282 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.47 -40.12 95.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.744 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.23 -42.52 98.75 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.663 0.602 . . . . 0.0 109.803 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.05 -47.54 84.25 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.75 -44.23 97.31 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.958 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -63.98 -40.01 95.42 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.85 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -41.66 90.93 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.273 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.4 -42.63 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' B' ' 14' ' ' ARG . 51.2 ttp180 -60.76 -41.95 96.49 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.189 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -70.06 -43.34 71.4 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.892 0.745 . . . . 0.0 110.943 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.71 127.61 19.39 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.109 0.881 . . . . 0.0 111.07 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 70.7 m -58.23 -47.13 84.49 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 123.137 0.575 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -92.32 126.62 44.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.112 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.92 143.46 28.52 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.41 ' N ' ' HD2' ' B' ' 21' ' ' PRO . 75.8 mtp -74.6 -50.45 4.49 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.296 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' B' ' 20' ' ' MET . 34.5 Cg_endo -63.0 140.69 80.44 Favored 'Trans proline' 0 N--CA 1.513 2.631 0 C-N-CA 122.208 1.939 . . . . 0.0 112.182 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.45 10.0 0.3 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.329 1.018 . . . . 0.0 110.69 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -48.45 -22.86 0.79 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.618 1.167 . . . . 0.0 112.807 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 26' ' ' GLN . . . -86.75 134.67 33.56 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.107 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -65.08 -4.57 4.97 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.532 0.52 . . . . 0.0 111.173 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 24' ' ' ALA . 86.9 mt-30 -67.32 -53.01 33.48 Favored 'General case' 0 C--N 1.368 1.37 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -61.33 -36.41 80.08 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.029 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.61 -39.56 91.68 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -67.12 -38.04 84.91 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.234 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.02 -44.1 97.43 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.5 tp -62.16 -41.4 98.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.51 -56.31 4.11 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.444 ' N ' HD22 ' A' ' 34' ' ' ASN . 63.6 mt -62.43 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-O 119.117 -0.468 . . . . 0.0 111.933 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.443 HD22 ' N ' ' C' ' 33' ' ' ILE . 30.7 m120 -62.83 -40.16 96.55 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 123.626 0.579 . . . . 0.0 110.255 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.91 -47.42 85.09 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 123.545 0.528 . . . . 0.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -66.96 -34.59 78.1 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.834 0.709 . . . . 0.0 111.571 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 40' ' ' ILE . 60.9 mt -67.92 -71.36 0.21 Allowed 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -33.95 -43.17 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 123.965 0.906 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.32 -47.47 82.11 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.386 0.274 . . . . 0.0 110.283 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' LEU . 8.2 mm -61.89 -42.93 96.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 124.097 0.873 . . . . 0.0 108.961 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.95 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.0 m -56.46 -44.66 80.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.348 0.594 . . . . 0.0 109.726 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.4 -32.12 72.81 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.776 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.07 -29.97 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.71 -39.53 93.81 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.1 -43.21 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.2 m -64.92 -36.96 86.05 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.707 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.56 -41.69 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.24 -42.99 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.693 0.621 . . . . 0.0 109.596 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.14 -44.46 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 90.2 mmm -66.41 -38.35 87.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.921 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.2 tp -61.39 -41.93 97.91 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.32 177.266 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.57 -38.23 86.74 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -64.72 -43.35 93.72 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.549 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.99 -44.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 124.1 0.875 . . . . 0.0 109.003 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -56.62 -48.71 76.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.494 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -63.99 -39.96 95.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.829 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.3 -42.93 99.48 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.62 0.575 . . . . 0.0 109.753 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.2 -47.35 84.86 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.71 -44.22 97.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.101 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -64.09 -39.81 94.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.883 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.71 90.77 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.418 0.449 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.51 -42.57 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.442 ' HE ' HH12 ' C' ' 14' ' ' ARG . 51.3 ttp180 -61.06 -41.88 97.44 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.03 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.442 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -70.25 -43.62 70.15 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.978 0.799 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.47 128.34 21.9 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.071 0.857 . . . . 0.0 111.222 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 72.4 m -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.938 0.495 . . . . 0.0 109.97 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 pt -93.07 125.73 45.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.142 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.77 139.7 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.998 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' MET . . . . . 0.422 ' N ' ' HD2' ' C' ' 21' ' ' PRO . 75.6 mtp -70.63 -49.45 15.26 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' C' ' 20' ' ' MET . 28.7 Cg_endo -61.73 138.65 76.03 Favored 'Trans proline' 0 N--CA 1.516 2.834 0 C-N-CA 122.088 1.859 . . . . 0.0 112.389 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.38 6.79 0.49 Allowed 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.745 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . 0.41 HE21 ' H ' ' C' ' 24' ' ' ALA . 2.0 pm0 -47.56 -24.46 0.87 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.416 1.086 . . . . 0.0 112.592 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.41 ' H ' HE21 ' C' ' 23' ' ' GLN . . . -85.62 134.64 33.99 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.511 0.507 . . . . 0.0 109.817 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -65.51 -2.24 3.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 123.368 0.418 . . . . 0.0 110.922 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' C' ' 24' ' ' ALA . 86.1 mt-30 -68.78 -53.32 22.45 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 174.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -59.98 -36.85 78.03 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.784 1.303 . . . . 0.0 111.754 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.48 -40.22 93.78 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.6 -38.58 84.18 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.601 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.92 -43.76 98.17 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.92 -42.27 98.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.811 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -81.63 -55.91 4.35 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.443 ' N ' HD22 ' B' ' 34' ' ' ASN . 65.1 mt -62.51 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.434 HD22 ' N ' ' D' ' 33' ' ' ILE . 31.8 m120 -63.33 -41.14 98.87 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.275 0.36 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.14 -46.76 82.42 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.499 0.5 . . . . 0.0 110.535 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.95 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -49.46 70.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.315 179.127 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.712 0.633 . . . . 0.0 109.919 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.47 -43.98 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 124.145 0.903 . . . . 0.0 108.915 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.27 -44.17 99.04 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 73.4 m -56.98 -44.79 83.03 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.876 0.735 . . . . 0.0 110.329 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.07 -33.41 75.73 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.977 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.21 -30.52 58.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.75 -39.31 93.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.31 -43.14 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -64.85 -37.17 86.73 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.926 0.766 . . . . 0.0 109.659 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.34 -41.78 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.59 -42.75 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.02 -44.28 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 90.3 mmm -66.47 -38.38 87.19 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.078 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.46 -41.8 97.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.219 177.38 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.52 -38.82 78.51 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.774 0.43 . . . . 0.0 109.897 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.73 -43.38 96.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.833 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.08 -45.74 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.859 0.724 . . . . 0.0 109.249 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -57.22 -47.28 81.71 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.441 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -64.14 -40.34 95.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.736 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.36 -42.53 98.85 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.056 0.847 . . . . 0.0 109.729 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -61.76 -47.69 84.08 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.61 -43.99 97.83 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.152 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.8 m -64.25 -39.89 94.88 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.936 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.91 91.1 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.448 0.467 . . . . 0.0 110.233 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.26 -42.8 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.444 ' HE ' HH12 ' D' ' 14' ' ' ARG . 51.4 ttp180 -60.7 -41.85 96.0 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.997 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.444 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -70.14 -42.91 71.92 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 123.92 0.762 . . . . 0.0 110.994 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.12 128.62 20.16 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.859 0.725 . . . . 0.0 111.203 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 69.9 m -58.75 -47.28 85.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.19 0.596 . . . . 0.0 109.799 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 pt -92.61 126.36 45.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.114 0.884 . . . . 0.0 109.083 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -146.82 142.35 27.6 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.314 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' MET . . . . . 0.409 ' N ' ' HD2' ' D' ' 21' ' ' PRO . 76.3 mtp -73.79 -50.02 5.84 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.262 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' D' ' 20' ' ' MET . 32.7 Cg_endo -63.03 141.49 83.88 Favored 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.004 1.803 . . . . 0.0 112.258 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.16 11.53 0.28 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.45 1.094 . . . . 0.0 110.217 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -50.33 -20.93 1.21 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.228 1.011 . . . . 0.0 112.151 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' D' ' 26' ' ' GLN . . . -87.46 132.75 33.9 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.904 0.752 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -66.69 -3.1 5.82 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.67 0.606 . . . . 0.0 111.257 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' D' ' 24' ' ' ALA . 88.2 mt-30 -68.74 -52.1 34.25 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 173.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.87 -37.15 81.16 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.546 -1.661 . . . . 0.0 111.005 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.02 -39.19 91.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -67.52 -37.76 83.24 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.086 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.01 -44.16 97.31 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -62.06 -41.79 98.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.96 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.18 -55.8 4.5 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.434 ' N ' HD22 ' C' ' 34' ' ' ASN . 61.2 mt -63.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.839 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.436 HD22 ' N ' ' E' ' 33' ' ' ILE . 31.6 m120 -63.88 -41.01 97.84 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 119.061 -0.495 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.87 -46.59 81.71 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.916 0.76 . . . . 0.0 110.142 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -64.52 -49.78 69.95 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.25 0.344 . . . . 0.0 110.724 178.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.32 -43.18 96.61 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.734 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.98 -43.22 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 124.252 0.97 . . . . 0.0 109.122 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.97 -42.16 98.82 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.43 -43.67 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.1 m -57.69 -46.1 84.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.5 -37.8 88.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.655 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.28 -52.03 51.56 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.85 -0.595 . . . . 0.0 109.546 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -48.82 -38.88 23.43 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.684 0.675 . . . . 0.0 110.686 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.58 -44.4 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.63 -34.15 77.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.986 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.62 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mm -63.35 -42.47 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.86 -43.9 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 90.2 mmm -66.27 -38.69 88.39 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.88 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.69 -41.77 98.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 CA--C 1.543 0.708 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.261 177.323 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.76 -38.45 81.82 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.25 -43.54 94.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.835 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.81 -45.91 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 124.157 0.91 . . . . 0.0 109.087 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.19 -47.14 81.98 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.588 1.18 . . . . 0.0 109.176 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.53 -40.17 95.12 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.87 0.731 . . . . 0.0 109.839 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.98 -42.52 98.52 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.636 0.585 . . . . 0.0 109.975 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -62.15 -47.58 83.93 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -61.79 -43.89 97.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.931 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -39.8 94.63 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.016 0.823 . . . . 0.0 110.829 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.75 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.42 0.45 . . . . 0.0 110.123 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.38 -42.9 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.439 ' HE ' HH12 ' E' ' 14' ' ' ARG . 51.4 ttp180 -60.57 -41.86 95.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.969 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.439 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -70.23 -42.88 71.68 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.839 0.712 . . . . 0.0 111.082 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.84 128.47 20.29 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 123.847 0.717 . . . . 0.0 111.299 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 72.3 m -58.24 -47.24 84.16 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 123.005 0.522 . . . . 0.0 110.012 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 pt -92.25 126.13 44.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.309 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -146.83 142.88 28.16 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.381 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' MET . . . . . 0.405 ' N ' ' HD2' ' E' ' 21' ' ' PRO . 75.2 mtp -73.88 -50.2 5.62 Favored Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.438 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' E' ' 20' ' ' MET . 33.8 Cg_endo -63.07 141.2 82.44 Favored 'Trans proline' 0 N--CA 1.51 2.458 0 C-N-CA 122.121 1.88 . . . . 0.0 112.155 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.97 10.22 0.27 Allowed 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.13 0.893 . . . . 0.0 110.709 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -48.22 -23.17 0.8 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.663 1.185 . . . . 0.0 112.79 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.74 134.75 33.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.081 0.552 . . . . 0.0 109.536 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -65.32 -3.69 4.43 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.283 0.563 . . . . 0.0 111.597 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.34 -52.93 27.86 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -61.15 -37.29 82.34 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.243 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.73 -39.92 93.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -66.43 -37.93 86.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.026 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.2 -44.5 96.45 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -61.48 -41.92 98.0 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.94 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -81.56 -55.97 4.33 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.436 ' N ' HD22 ' D' ' 34' ' ' ASN . 64.0 mt -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.711 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 33' ' ' ILE . 31.0 m120 -63.23 -40.94 98.88 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.621 0.576 . . . . 0.0 110.518 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.65 -46.01 84.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.218 0.324 . . . . 0.0 110.644 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.45 -49.2 72.4 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.583 0.552 . . . . 0.0 110.595 178.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.07 -42.41 98.45 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.625 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.58 -44.51 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.96 -42.22 98.87 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.215 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mm -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.07 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 70.8 m -58.59 -45.09 89.84 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.07 -38.39 90.91 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.363 1.039 . . . . 0.0 109.53 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.16 -51.35 61.68 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -49.75 -38.91 35.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 118.503 0.592 . . . . 0.0 110.696 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.84 -44.33 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.33 -34.2 77.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.153 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.53 -41.56 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -42.47 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.13 -43.92 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.781 0.676 . . . . 0.0 109.298 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 90.0 mmm -66.38 -38.65 88.03 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.942 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.64 -41.85 98.08 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.289 177.319 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.85 -36.41 81.14 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.42 -41.82 93.14 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 124.406 1.066 . . . . 0.0 109.618 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.01 -44.61 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.97 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.46 -40.85 93.69 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.675 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.87 -40.58 93.53 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 124.026 0.828 . . . . 0.0 109.208 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -43.77 98.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 m -62.7 -45.99 90.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.442 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.39 -42.38 99.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.294 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.19 -40.82 98.59 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.938 0.774 . . . . 0.0 110.424 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.85 91.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.8 ttp180 -58.41 -41.53 85.17 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.604 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -70.58 -41.34 72.51 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.754 0.659 . . . . 0.0 109.755 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.26 19.11 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.346 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -173.61 68.73 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 O-C-N 124.067 0.854 . . . . 0.0 109.548 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.27 111.6 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -113.98 125.37 53.94 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -99.05 171.53 5.62 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.338 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.45 -8.74 4.19 Favored 'Trans proline' 0 N--CA 1.515 2.79 0 C-N-CA 121.803 1.669 . . . . 0.0 111.979 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -51.44 -27.29 9.89 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.268 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.99 -36.19 60.11 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 26' ' ' GLN . . . -67.44 -27.54 67.13 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 79.19 -31.49 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 123.956 0.902 . . . . 0.0 108.865 -175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 24' ' ' ALA . 84.7 mt-30 -60.49 -38.54 84.6 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -68.36 -32.0 71.79 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.026 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.26 -39.73 83.77 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.54 -36.89 77.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.699 0.625 . . . . 0.0 110.518 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.82 -45.47 89.9 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.679 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.68 -45.96 92.19 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.475 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.85 -52.65 41.07 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 123.892 0.745 . . . . 0.0 112.61 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.23 -45.53 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 122.947 0.154 . . . . 0.0 110.95 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.93 -42.79 99.92 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.02 -48.23 82.33 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.727 0.642 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.74 -33.79 76.68 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.689 0.618 . . . . 0.0 111.731 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ILE . 45.1 mt -67.56 -69.12 0.33 Allowed 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.6 mt -33.14 -41.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 124.926 1.391 . . . . 0.0 110.369 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.98 -45.09 94.09 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.654 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 9.2 mm -62.77 -42.72 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 35.5 m -54.69 -49.47 70.59 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.189 0.93 . . . . 0.0 109.023 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.7 -37.9 87.74 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.683 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.63 -27.9 58.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.702 0.401 . . . . 0.0 111.522 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.11 -37.9 75.47 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.27 -42.17 95.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.74 -38.67 88.79 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.53 0.519 . . . . 0.0 109.916 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.9 -43.68 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.26 -44.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.43 -42.04 92.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 123.828 0.705 . . . . 0.0 109.486 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mmm -60.05 -50.58 73.15 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.85 -41.16 90.83 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.231 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.548 0.901 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.269 177.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.95 -35.88 79.77 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.588 0.555 . . . . 0.0 109.756 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -65.85 -41.71 91.38 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 124.445 1.091 . . . . 0.0 109.594 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.97 -44.41 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.105 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.02 -40.78 91.36 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 123.967 0.792 . . . . 0.0 109.469 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.83 -40.49 92.95 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.744 0.652 . . . . 0.0 109.288 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.83 98.06 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -62.7 -46.0 90.18 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.359 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.48 -42.44 99.49 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.261 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -62.95 -40.67 98.36 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.915 0.759 . . . . 0.0 110.359 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.6 92.02 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.575 0.547 . . . . 0.0 109.743 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.77 -42.7 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.182 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.416 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.8 ttp180 -58.27 -41.8 85.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.518 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.416 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -70.47 -41.54 72.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.946 0.779 . . . . 0.0 109.618 178.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -7.4 18.11 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.345 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -173.61 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.165 0.916 . . . . 0.0 109.543 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.8 111.85 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -113.98 125.41 53.98 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.922 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -99.24 171.58 5.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.135 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.74 -8.51 4.39 Favored 'Trans proline' 0 N--CA 1.515 2.771 0 C-N-CA 121.795 1.664 . . . . 0.0 112.207 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -51.74 -27.14 11.07 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.364 1.466 . . . . 0.0 113.471 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -52.6 -35.87 55.12 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.474 ' C ' ' H ' ' B' ' 26' ' ' GLN . . . -67.03 -29.65 69.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 81.19 -32.12 0.11 Allowed 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 124.338 1.055 . . . . 0.0 108.763 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' B' ' 24' ' ' ALA . 84.4 mt-30 -59.59 -39.37 83.94 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -68.61 -31.39 70.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.514 -1.676 . . . . 0.0 111.781 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.35 -39.93 84.78 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.74 -36.69 77.11 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.441 0.463 . . . . 0.0 110.708 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.72 -45.07 90.4 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.075 0.86 . . . . 0.0 109.706 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.94 -46.29 91.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.704 0.627 . . . . 0.0 111.652 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.82 -52.23 46.26 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.34 -45.25 96.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 123.533 0.521 . . . . 0.0 110.848 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.26 -41.41 96.96 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 123.334 0.396 . . . . 0.0 110.663 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -57.51 -47.94 80.61 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 111.028 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -62.97 -51.79 65.49 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.713 0.633 . . . . 0.0 109.858 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.52 -43.13 79.51 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.334 1.021 . . . . 0.0 110.872 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.72 -42.24 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 125.562 1.788 . . . . 0.0 108.474 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 58.2 mt -64.24 -41.31 97.05 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.483 HD13 ' SG ' ' A' ' 41' ' ' CYS . 31.6 mm -62.1 -44.01 98.47 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 64.5 m -56.41 -50.82 70.51 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.936 0.773 . . . . 0.0 109.404 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.36 -39.12 93.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.684 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.41 -28.11 59.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.619 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.92 -37.69 76.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.24 -42.04 94.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -61.52 -38.62 88.05 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.509 0.506 . . . . 0.0 110.067 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.88 -43.45 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.27 -44.46 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.2 -42.23 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.882 0.739 . . . . 0.0 109.647 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 11.5 mmm -60.01 -50.77 72.42 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.7 mt -59.55 -41.12 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.859 0.724 . . . . 0.0 110.032 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.21 178.202 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.2 -36.38 81.76 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.62 -41.87 92.22 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 124.222 0.952 . . . . 0.0 109.396 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.24 -43.8 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.911 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.88 -42.21 94.99 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 124.087 0.867 . . . . 0.0 109.916 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.66 -40.41 91.97 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.761 0.663 . . . . 0.0 109.332 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -44.06 97.66 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.019 0.824 . . . . 0.0 108.911 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -62.93 -46.06 89.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.45 -42.36 99.41 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.445 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.819 0.699 . . . . 0.0 110.261 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.68 91.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.607 0.567 . . . . 0.0 109.723 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -42.82 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.161 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.411 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -58.41 -41.51 85.1 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.668 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.411 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -70.64 -41.13 72.58 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.818 0.699 . . . . 0.0 109.813 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -7.3 18.63 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.5 t -173.53 67.93 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.31 1.006 . . . . 0.0 109.583 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.56 111.77 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -113.98 125.65 54.26 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.889 0.743 . . . . 0.0 110.826 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.72 171.4 5.66 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.343 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.39 -8.61 3.98 Favored 'Trans proline' 0 N--CA 1.519 3.012 0 C-N-CA 121.959 1.773 . . . . 0.0 112.095 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -51.75 -28.07 14.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.306 1.443 . . . . 0.0 113.461 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -52.72 -35.11 55.25 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' C' ' 26' ' ' GLN . . . -67.93 -27.23 66.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 79.12 -32.55 0.15 Allowed 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 123.931 0.892 . . . . 0.0 109.528 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' C' ' 24' ' ' ALA . 84.0 mt-30 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.94 -30.91 69.46 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.915 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -39.69 85.03 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.96 -37.12 78.65 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 123.496 0.498 . . . . 0.0 110.379 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.69 -45.3 89.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.919 0.762 . . . . 0.0 109.655 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.83 -45.83 92.92 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.839 0.712 . . . . 0.0 111.203 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -67.01 -52.86 37.29 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.96 -45.56 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.596 0.56 . . . . 0.0 110.461 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -64.19 -41.18 97.2 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 123.732 0.645 . . . . 0.0 110.531 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.38 -47.04 82.71 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 123.718 0.636 . . . . 0.0 111.276 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -62.64 -54.51 38.38 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.519 0.512 . . . . 0.0 109.715 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.85 -42.66 72.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.866 0.729 . . . . 0.0 110.578 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.08 -43.05 80.58 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.67 -42.27 98.07 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.475 HD13 ' SG ' ' B' ' 41' ' ' CYS . 36.8 mm -59.29 -48.03 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 61.7 m -54.7 -48.66 72.17 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.016 0.526 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.78 -36.29 83.4 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.872 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.33 -30.12 57.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.39 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.88 -36.83 78.55 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.24 -42.57 96.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.95 -38.99 90.59 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 123.804 0.69 . . . . 0.0 110.138 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.51 -43.51 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.31 -44.13 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.617 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.28 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 124.028 0.83 . . . . 0.0 109.187 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 12.3 mmm -60.01 -50.93 71.79 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.24 -41.61 89.13 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 CA--C 1.546 0.81 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.275 178.062 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.29 -36.56 80.4 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.74 -41.56 92.04 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.235 0.959 . . . . 0.0 109.335 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.36 -43.99 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.24 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -66.17 -40.61 90.64 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 124.052 0.845 . . . . 0.0 109.476 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -61.03 -40.3 93.06 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.757 0.661 . . . . 0.0 109.448 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -43.41 98.9 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.4 m -62.99 -46.06 89.49 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.425 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.52 -42.24 99.39 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.255 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.16 -40.74 98.41 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.977 0.798 . . . . 0.0 110.39 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.49 92.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.722 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.78 -42.76 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.122 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.403 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.9 ttp180 -58.3 -41.6 84.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.623 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.403 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.55 -41.32 72.61 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.904 0.753 . . . . 0.0 109.608 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.4 19.25 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.282 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -173.68 68.62 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.083 0.864 . . . . 0.0 109.619 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.85 111.31 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -113.68 125.51 54.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.005 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.58 171.86 5.22 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.296 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.92 -8.43 4.57 Favored 'Trans proline' 0 N--CA 1.518 2.932 0 C-N-CA 121.914 1.743 . . . . 0.0 111.942 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -51.7 -27.17 10.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.109 1.364 . . . . 0.0 113.333 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -53.46 -35.93 61.06 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' D' ' 26' ' ' GLN . . . -67.24 -27.9 67.61 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 79.58 -32.71 0.14 Allowed 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 123.821 0.848 . . . . 0.0 109.108 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' D' ' 24' ' ' ALA . 82.6 mt-30 -59.61 -38.33 81.0 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 175.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.02 -32.05 71.3 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.474 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.04 -39.32 81.62 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.33 -37.32 77.51 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.39 0.431 . . . . 0.0 110.776 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.893 0.745 . . . . 0.0 110.12 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.68 -45.36 94.44 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.92 -53.02 36.11 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.06 -45.31 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 123.568 0.543 . . . . 0.0 110.788 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -63.31 -42.17 98.99 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.326 0.392 . . . . 0.0 110.568 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.72 -47.43 82.42 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.597 0.561 . . . . 0.0 111.257 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -62.88 -51.36 67.26 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 mt -58.07 -42.95 86.63 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.755 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -57.01 -41.78 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 125.186 1.554 . . . . 0.0 108.462 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 123.912 0.757 . . . . 0.0 110.082 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.56 -43.82 98.41 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 61.0 m -54.83 -49.97 69.75 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.83 -41.53 97.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.467 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.7 -51.21 61.14 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 mt -50.74 -37.34 41.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.727 0.411 . . . . 0.0 110.638 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.18 -43.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.33 -36.41 84.03 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.28 -43.63 97.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.07 -43.75 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.31 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.2 -41.75 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 11.4 mmm -59.44 -51.16 71.08 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.71 -40.77 89.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.601 0.563 . . . . 0.0 110.123 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.616 178.118 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.04 -36.46 81.67 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -65.41 -41.54 93.5 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.398 1.061 . . . . 0.0 109.582 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.9 -44.8 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.51 -40.77 93.38 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.575 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.09 -40.34 93.35 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.953 0.783 . . . . 0.0 109.275 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -43.87 98.01 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -62.88 -46.1 89.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.402 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.35 -42.22 99.22 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.402 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.27 -40.62 97.9 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.918 0.761 . . . . 0.0 110.428 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.7 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.5 -42.84 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.332 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.402 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.8 ttp180 -58.21 -41.75 84.7 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.606 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.32 -41.32 73.41 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.863 0.727 . . . . 0.0 109.91 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -7.53 19.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.35 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -173.49 68.19 0.03 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.002 0.814 . . . . 0.0 109.672 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.83 111.96 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -114.15 125.02 53.48 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.048 0.843 . . . . 0.0 110.869 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.79 171.7 5.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.411 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.39 -8.88 4.23 Favored 'Trans proline' 0 N--CA 1.515 2.778 0 C-N-CA 122.105 1.87 . . . . 0.0 111.952 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -51.46 -27.44 10.4 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.184 1.394 . . . . 0.0 112.921 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -53.59 -35.16 60.56 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.271 0.357 . . . . 0.0 111.521 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . 0.474 ' C ' ' H ' ' E' ' 26' ' ' GLN . . . -67.93 -27.44 66.63 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 79.5 -32.61 0.14 Allowed 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.94 0.896 . . . . 0.0 109.039 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' E' ' 24' ' ' ALA . 83.0 mt-30 -59.71 -38.48 81.76 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.43 -31.86 71.48 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.691 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.22 -39.68 83.48 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.04 -37.27 79.31 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 123.821 0.701 . . . . 0.0 110.4 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.26 -45.32 88.02 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.721 0.638 . . . . 0.0 109.946 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.89 -46.11 91.92 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.24 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -66.43 -52.41 46.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.32 -45.37 96.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 123.633 0.583 . . . . 0.0 110.806 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.92 -42.11 97.47 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 0.0 109.916 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.31 -47.08 82.44 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.519 0.512 . . . . 0.0 110.68 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.1 t -61.11 -58.3 8.92 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' E' ' 40' ' ' ILE . 54.1 mt -46.12 -70.46 0.1 Allowed 'General case' 0 C--O 1.195 -1.807 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -32.32 -44.47 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 124.047 0.842 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.83 -43.29 93.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 117.703 0.229 . . . . 0.0 110.754 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' E' ' 37' ' ' LEU . 22.4 mm -59.62 -45.08 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 20.8 m -57.08 -49.54 75.55 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.136 0.898 . . . . 0.0 109.267 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.18 -40.63 98.06 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.362 1.039 . . . . 0.0 110.821 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.49 -51.55 59.24 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -52.8 -36.49 58.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.656 0.383 . . . . 0.0 110.236 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.13 -43.25 97.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.369 0.418 . . . . 0.0 109.91 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.56 -43.72 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.37 -43.66 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.029 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.24 -42.08 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 123.86 0.725 . . . . 0.0 109.585 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 12.0 mmm -59.91 -50.88 72.05 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.33 -41.21 88.61 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 123.519 0.512 . . . . 0.0 110.063 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.373 178.333 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.39 -35.96 70.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.259 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.7 -42.43 97.97 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.337 1.023 . . . . 0.0 109.67 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -64.84 -44.14 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 123.958 0.786 . . . . 0.0 109.009 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -59.82 -44.98 93.75 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.294 0.996 . . . . 0.0 109.277 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.79 -40.77 98.36 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.498 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -42.72 99.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.32 -46.12 90.17 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.893 0.746 . . . . 0.0 109.287 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.54 -41.81 99.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.849 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -64.71 -39.57 93.89 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.77 94.49 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.8 -42.64 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.701 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.3 ttp180 -59.92 -41.96 92.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.258 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -64.69 -45.12 87.99 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.845 0.716 . . . . 0.0 109.651 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -24.97 68.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.644 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -66.34 -34.68 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.272 0.358 . . . . 0.0 110.819 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -95.99 128.0 47.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 123.764 0.665 . . . . 0.0 109.787 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.84 164.4 12.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.129 0.893 . . . . 0.0 110.822 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.12 125.41 62.26 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.493 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.09 54.46 4.63 Favored 'Trans proline' 0 N--CA 1.516 2.796 0 C-N-CA 123.105 2.537 . . . . 0.0 110.794 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -159.46 67.81 0.41 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.165 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.516 ' H ' HD21 ' A' ' 27' ' ' ASN . 3.5 mm-40 -72.37 -73.38 0.2 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.847 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.92 171.37 13.94 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.156 0.285 . . . . 0.0 111.025 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -64.14 -18.58 64.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.922 0.764 . . . . 0.0 110.943 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.46 HE21 HH21 ' B' ' 25' ' ' ARG . 37.2 mt-30 -84.13 -45.32 13.12 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.937 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.516 HD21 ' H ' ' A' ' 23' ' ' GLN . 7.9 t30 -65.31 -35.21 80.3 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.073 176.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.97 -42.77 99.5 Favored 'General case' 0 C--N 1.344 0.359 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.98 -37.53 87.95 Favored 'General case' 0 C--O 1.221 -0.396 0 O-C-N 123.892 0.745 . . . . 0.0 111.374 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.35 -48.69 80.69 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.23 -41.46 99.1 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.577 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.98 -64.02 0.99 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.83 -47.39 93.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.892 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -60.79 -41.32 95.38 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -58.65 -45.11 90.04 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.469 0.481 . . . . 0.0 109.928 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -66.3 -39.17 89.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 112.335 178.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 mt -67.83 -45.53 74.41 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 122.257 1.027 . . . . 0.0 109.437 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.88 -43.98 89.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-N 113.462 -1.699 . . . . 0.0 109.196 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.93 -46.25 91.42 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 124.117 0.886 . . . . 0.0 109.143 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 40' ' ' ILE . 66.2 mt -66.01 -41.47 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 124.091 0.869 . . . . 0.0 110.667 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.2 m -55.99 -48.59 75.59 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.18 -38.09 89.81 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.058 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.43 -28.33 61.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 122.904 0.482 . . . . 0.0 111.201 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.22 -38.2 81.64 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.33 -42.55 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.32 -35.21 79.61 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mt -62.55 -41.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -42.41 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.6 -43.11 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.0 mmm -66.34 -37.04 84.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.042 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.81 -42.45 99.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.938 177.204 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.42 -35.44 70.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.893 0.378 . . . . 0.0 110.154 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.08 -42.68 96.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.537 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.54 -43.21 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 124.018 0.824 . . . . 0.0 109.331 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.344 0.329 0 O-C-N 124.328 1.017 . . . . 0.0 108.995 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.0 -41.06 99.48 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.73 -43.13 99.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -62.58 -45.53 92.48 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.71 -41.88 99.37 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.878 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.54 -39.48 93.85 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.284 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.78 94.37 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.65 -42.73 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.692 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.402 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.4 ttp180 -59.83 -42.04 92.65 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.233 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -64.68 -45.04 88.38 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.841 0.713 . . . . 0.0 109.571 178.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.07 -24.95 68.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.581 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.9 p -66.2 -34.74 78.71 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.375 0.422 . . . . 0.0 110.888 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -96.02 128.66 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 123.978 0.799 . . . . 0.0 109.609 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.37 164.21 12.52 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.022 0.826 . . . . 0.0 110.772 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 126.18 60.23 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.377 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.58 54.67 4.86 Favored 'Trans proline' 0 N--CA 1.518 2.94 0 C-N-CA 123.133 2.556 . . . . 0.0 111.14 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -159.6 68.33 0.41 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.124 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.511 ' H ' HD21 ' B' ' 27' ' ' ASN . 4.0 mm-40 -72.8 -73.48 0.2 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.615 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.28 171.48 12.68 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.913 0.485 . . . . 0.0 110.96 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.46 HH21 HE21 ' A' ' 26' ' ' GLN . 35.7 ptt-85 -62.62 -18.03 61.43 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.336 1.065 . . . . 0.0 110.582 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -82.37 -51.43 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.674 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.511 HD21 ' H ' ' B' ' 23' ' ' GLN . 9.2 t30 -63.08 -34.06 76.78 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.91 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.95 -43.51 98.69 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -66.22 -37.08 84.68 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 123.711 0.632 . . . . 0.0 111.247 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.01 -48.27 82.21 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.02 -41.29 97.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.553 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -71.05 -64.0 0.99 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.431 HD12 HG22 ' B' ' 33' ' ' ILE . 59.5 mt -61.52 -47.68 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.02 -41.64 96.94 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.831 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.17 -44.65 92.15 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.588 0.555 . . . . 0.0 109.657 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.944 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -66.59 -38.96 88.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 123.638 0.586 . . . . 0.0 111.766 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.51 -46.44 69.6 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.715 0.769 . . . . 0.0 109.192 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.37 -43.01 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 113.021 -1.899 . . . . 0.0 109.114 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.11 -44.24 97.09 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.406 HD12 HG22 ' B' ' 40' ' ' ILE . 63.0 mt -66.97 -41.73 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.304 1.002 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.9 m -56.05 -47.74 77.34 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.89 -38.11 89.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.941 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.08 -27.23 60.8 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.833 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.48 -37.78 77.39 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.82 -42.49 96.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.64 -35.16 79.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.473 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.95 -41.65 93.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.73 -42.5 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 123.47 0.481 . . . . 0.0 109.85 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -43.16 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.11 -37.53 85.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.9 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.62 -42.48 98.95 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.091 177.252 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -57.2 -35.96 70.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.86 -42.27 97.57 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.144 0.903 . . . . 0.0 109.598 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 50.8 t -64.75 -43.33 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -61.08 -44.71 96.96 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.05 0.843 . . . . 0.0 109.102 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -62.89 -41.3 99.38 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.457 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.58 -43.04 99.6 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.98 0.8 . . . . 0.0 109.295 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.5 m -63.03 -45.24 93.22 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.73 -41.72 99.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.075 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.61 -39.3 93.47 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.05 93.19 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.37 -42.84 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.772 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -59.88 -41.9 92.59 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.183 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -45.16 87.88 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.11 -24.83 68.08 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.591 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 24.4 p -66.1 -34.75 78.77 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.337 0.398 . . . . 0.0 110.866 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -95.87 128.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 O-C-N 123.913 0.758 . . . . 0.0 109.656 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 164.34 12.36 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.081 0.863 . . . . 0.0 110.863 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 126.05 60.64 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.614 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.54 54.83 4.91 Favored 'Trans proline' 0 N--CA 1.515 2.741 0 C-N-CA 123.19 2.593 . . . . 0.0 111.172 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -159.79 68.14 0.39 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.05 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . 0.499 ' H ' HD21 ' C' ' 27' ' ' ASN . 3.5 mm-40 -72.01 -73.99 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.926 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.55 171.54 13.25 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.499 0.499 . . . . 0.0 111.255 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -63.93 -17.21 63.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.126 0.891 . . . . 0.0 110.458 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -82.66 -50.28 8.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.429 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.499 HD21 ' H ' ' C' ' 23' ' ' GLN . 9.3 t30 -62.79 -35.17 78.98 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.005 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -65.45 -36.67 84.59 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 124.075 0.86 . . . . 0.0 111.638 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.21 -48.71 80.61 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.38 -41.38 98.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.317 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.91 -62.9 1.22 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 65.9 mt -62.97 -46.44 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.405 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -60.8 -41.71 96.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.416 0.553 . . . . 0.0 110.154 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -58.74 -44.94 90.65 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.809 0.693 . . . . 0.0 109.138 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.33 -52.78 62.3 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.697 0.623 . . . . 0.0 109.953 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' C' ' 40' ' ' ILE . 18.1 mt -52.93 -74.46 0.04 OUTLIER 'General case' 0 C--O 1.194 -1.837 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -33.37 -45.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 125.365 1.666 . . . . 0.0 110.835 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.0 mt -62.22 -47.1 85.94 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-O 121.215 0.531 . . . . 0.0 110.731 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.426 HG22 HD12 ' C' ' 40' ' ' ILE . 62.1 mt -64.23 -42.02 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.902 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 56.2 m -55.05 -48.99 72.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.33 -38.18 90.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.43 -27.0 61.19 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.604 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.09 -37.65 75.47 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.03 -42.36 95.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -63.19 -35.36 80.04 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -41.57 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.12 -42.2 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 123.662 0.601 . . . . 0.0 109.694 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.49 -43.15 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 85.4 mmm -66.41 -37.03 84.31 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.058 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.77 -42.78 99.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 CA--C 1.542 0.653 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.127 177.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.76 -35.46 72.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.24 -42.4 96.55 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.324 1.015 . . . . 0.0 109.527 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.88 -43.42 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.22 -45.28 93.77 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.114 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -63.24 -40.97 98.94 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.67 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -62.87 -45.67 91.45 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.52 -41.78 99.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.774 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.0 m -64.82 -39.56 93.78 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.092 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.9 94.59 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.53 -42.83 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.82 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.403 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.6 ttp180 -59.83 -41.94 92.46 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.198 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.403 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -64.72 -45.2 87.55 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 123.81 0.694 . . . . 0.0 109.622 178.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -24.89 68.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.583 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p -66.24 -34.72 78.64 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.312 0.383 . . . . 0.0 110.824 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 50.3 mm -95.97 128.3 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 123.935 0.772 . . . . 0.0 109.608 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.06 164.27 12.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.121 0.888 . . . . 0.0 110.868 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.73 126.26 60.25 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.85 54.94 5.05 Favored 'Trans proline' 0 N--CA 1.509 2.416 0 C-N-CA 123.11 2.54 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -159.96 68.07 0.38 Allowed 'General case' 0 C--O 1.247 0.971 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.919 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . 0.524 ' H ' HD21 ' D' ' 27' ' ' ASN . 3.8 mm-40 -72.37 -73.42 0.2 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.8 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.82 170.86 13.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.604 0.565 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt-85 -63.86 -16.33 61.09 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.542 0.687 . . . . 0.0 110.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.94 -50.36 8.66 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 114.648 -1.16 . . . . 0.0 107.941 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.524 HD21 ' H ' ' D' ' 23' ' ' GLN . 9.9 t30 -63.53 -35.35 80.2 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.947 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.39 -43.57 98.64 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.21 -37.59 87.77 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 123.899 0.749 . . . . 0.0 111.132 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.63 -48.38 81.9 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.65 -41.32 98.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.507 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.19 -62.96 1.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.63 -46.7 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.561 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -61.44 -41.36 97.07 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.85 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.71 -44.68 90.46 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.6 -51.05 66.97 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.911 0.757 . . . . 0.0 110.633 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.9 mt -58.62 -44.76 90.07 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.103 0.477 . . . . 0.0 110.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.05 -43.08 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.887 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.08 -44.03 97.99 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.402 HD13 HG22 ' D' ' 40' ' ' ILE . 60.9 mt -67.21 -42.44 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.738 0.649 . . . . 0.0 109.812 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.0 m -55.94 -48.12 76.32 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.56 -40.4 96.88 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.765 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.08 -51.46 63.95 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mt -50.68 -38.57 47.56 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.226 0.61 . . . . 0.0 110.528 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.62 -43.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.38 -31.97 73.35 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.883 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.12 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.96 -42.1 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.09 -42.93 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 85.7 mmm -66.25 -37.25 85.04 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.906 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.08 -42.7 99.48 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.061 177.437 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.35 -35.42 71.9 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.103 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.13 -42.42 96.84 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.625 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.79 -43.48 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.37 -44.96 95.12 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.372 1.045 . . . . 0.0 109.088 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.51 -40.88 98.22 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.847 0.717 . . . . 0.0 109.718 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.46 -43.17 99.34 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -63.09 -45.35 92.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.68 -41.52 99.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.986 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.8 m -64.85 -39.39 93.49 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.211 0.944 . . . . 0.0 110.309 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.26 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.59 -42.93 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.638 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.414 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.4 ttp180 -59.72 -41.98 92.07 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.147 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.414 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -64.59 -45.09 88.43 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.716 0.635 . . . . 0.0 109.69 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.29 68.31 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.628 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 24.9 p -66.29 -34.63 78.42 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.329 0.393 . . . . 0.0 110.919 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -96.1 128.41 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 O-C-N 123.78 0.675 . . . . 0.0 109.541 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.86 164.26 12.41 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.815 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.83 125.99 60.94 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.463 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.56 55.42 5.16 Favored 'Trans proline' 0 N--CA 1.508 2.36 0 C-N-CA 123.192 2.595 . . . . 0.0 111.061 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -160.87 67.25 0.32 Allowed 'General case' 0 C--O 1.246 0.906 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.959 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . 0.532 ' H ' HD21 ' E' ' 27' ' ' ASN . 3.8 mm-40 -71.42 -74.09 0.16 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.91 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.98 171.01 13.37 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.784 0.678 . . . . 0.0 111.356 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -63.99 -15.88 60.33 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.739 0.65 . . . . 0.0 110.296 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -82.49 -50.68 8.58 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.532 HD21 ' H ' ' E' ' 23' ' ' GLN . 10.3 t30 -64.18 -34.59 78.44 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.389 1.056 . . . . 0.0 109.333 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.98 -43.17 99.39 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.74 -37.45 87.65 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 124.148 0.905 . . . . 0.0 111.184 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.39 -48.98 79.59 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -63.25 -41.14 99.03 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.408 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -71.44 -62.65 1.33 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.425 HD12 HG22 ' E' ' 33' ' ' ILE . 61.8 mt -62.65 -46.59 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -60.99 -41.29 96.17 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.255 0.479 . . . . 0.0 110.636 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -59.86 -44.67 94.01 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -61.52 -53.96 49.55 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.134 0.896 . . . . 0.0 109.665 178.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -51.3 -74.18 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -35.04 -45.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 125.369 1.668 . . . . 0.0 110.904 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.76 -47.11 86.64 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 120.651 0.262 . . . . 0.0 110.458 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.416 HD12 HG22 ' E' ' 40' ' ' ILE . 65.3 mt -65.25 -42.12 93.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.314 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 58.8 m -56.0 -47.21 78.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.62 -39.85 94.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.076 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.46 -51.24 64.05 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.12 -38.05 37.08 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.469 0.481 . . . . 0.0 110.824 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.54 -31.92 73.23 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.879 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.04 -41.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.91 -42.03 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.29 -43.0 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 86.0 mmm -65.93 -37.45 86.08 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.944 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.73 -42.67 99.27 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.069 177.547 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.57 -38.35 80.92 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.2 -41.64 94.3 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 124.38 1.05 . . . . 0.0 109.501 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.4 -44.4 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.93 -41.41 97.64 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.04 0.837 . . . . 0.0 109.365 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.03 -40.43 95.68 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.83 -46.19 89.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.224 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.5 -41.93 99.15 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.029 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -64.6 -39.95 94.65 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.005 0.815 . . . . 0.0 110.133 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.14 94.88 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.19 -42.89 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.944 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -57.65 -41.38 81.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.047 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.407 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -67.41 -40.0 85.54 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.014 177.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.95 67.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.738 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -70.54 104.86 2.9 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 123.825 0.703 . . . . 0.0 109.237 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 133.85 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.36 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.27 50.94 1.7 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.605 0.717 . . . . 0.0 110.527 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.04 33.3 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.12 152.62 43.64 Favored 'Trans proline' 0 N--CA 1.516 2.818 0 C-N-CA 122.503 2.136 . . . . 0.0 112.15 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -54.66 -44.32 73.18 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.958 0.786 . . . . 0.0 110.845 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.87 -41.16 99.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.029 0.532 . . . . 0.0 110.314 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.23 72.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.479 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -63.76 -43.61 95.93 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.952 0.882 . . . . 0.0 108.848 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -58.0 -43.72 86.79 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.01 -1.904 . . . . 0.0 107.787 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -62.87 -32.16 73.34 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.888 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.14 -63.23 1.25 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 117.639 0.2 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.0 -27.53 62.8 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.54 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -57.04 -45.31 83.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.14 -44.78 91.12 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.106 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -62.36 -46.08 90.27 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.254 0.972 . . . . 0.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.18 -51.03 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.5 -45.04 94.84 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -58.93 -46.93 86.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.623 0.577 . . . . 0.0 110.854 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.0 OUTLIER -65.14 -37.65 88.09 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.377 0.423 . . . . 0.0 111.215 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.79 -43.45 68.68 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.064 0.853 . . . . 0.0 110.556 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.24 -42.99 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.761 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.66 -44.68 96.15 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mm -64.89 -42.23 94.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 123.232 0.613 . . . . 0.0 109.522 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.0 m -59.9 -51.29 70.33 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 122.598 0.359 . . . . 0.0 110.482 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.28 -41.45 98.49 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.33 1.019 . . . . 0.0 109.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.01 -50.05 70.02 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.06 0.85 . . . . 0.0 108.737 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -40.69 46.36 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.243 0.617 . . . . 0.0 110.075 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.45 -42.7 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.99 -38.41 90.98 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mm -62.99 -43.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.634 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.5 t -61.88 -47.8 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 124.144 0.902 . . . . 0.0 110.488 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm -65.02 -50.04 67.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -52.6 -43.4 65.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.685 1.241 . . . . 0.0 109.49 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.555 1.167 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.19 -38.66 80.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.17 -41.08 95.0 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.778 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.54 -44.45 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.1 -41.35 97.31 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 124.028 0.83 . . . . 0.0 109.162 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.97 -40.54 95.95 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -42.99 99.7 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.901 0.751 . . . . 0.0 109.058 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -62.65 -45.98 90.33 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.786 0.679 . . . . 0.0 109.341 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.75 -41.83 99.38 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.984 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -64.48 -39.85 94.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 110.08 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.0 94.76 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.642 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.886 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.405 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.5 ttp180 -57.62 -41.44 81.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.998 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.405 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -67.17 -40.01 86.55 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 177.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.88 67.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.867 0.73 . . . . 0.0 110.811 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.4 p -70.32 104.24 2.63 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.801 0.688 . . . . 0.0 109.285 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.21 133.39 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.397 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.18 51.52 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.599 0.714 . . . . 0.0 110.578 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -43.57 34.32 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 152.98 43.33 Favored 'Trans proline' 0 N--CA 1.515 2.769 0 C-N-CA 122.678 2.252 . . . . 0.0 112.132 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -55.24 -44.16 75.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.81 0.694 . . . . 0.0 110.721 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -62.57 -41.41 98.91 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.339 0.59 . . . . 0.0 110.239 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.98 74.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.247 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -64.46 -42.47 95.91 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 121.861 0.839 . . . . 0.0 108.991 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.47 -44.16 89.19 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 113.711 -1.586 . . . . 0.0 107.553 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.47 -31.0 72.03 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.339 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.62 -62.54 1.66 Allowed 'General case' 0 C--N 1.363 1.165 0 O-C-N 123.247 0.342 . . . . 0.0 110.192 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.57 -26.86 61.88 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -57.09 -46.24 82.71 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.97 -44.95 94.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.136 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -62.46 -46.14 89.85 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.93 -51.63 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.02 -44.74 96.08 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.64 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.65 -47.31 86.1 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 123.359 0.412 . . . . 0.0 111.256 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -63.55 -34.06 76.97 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.651 0.595 . . . . 0.0 111.631 179.342 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.5 -74.4 0.13 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -32.01 -44.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.549 0 O-C-N 125.737 1.898 . . . . 0.0 110.924 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.39 -49.73 76.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.684 0.278 . . . . 0.0 110.409 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.55 -41.02 87.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.389 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.6 m -55.39 -50.55 69.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.28 -39.75 93.98 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.2 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -64.83 -47.87 76.45 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -53.06 -38.55 62.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.032 0.533 . . . . 0.0 109.587 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.34 -42.69 97.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.12 -37.96 89.12 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.53 -42.79 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.03 -43.79 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.862 0.865 . . . . 0.0 109.73 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.29 -47.17 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.239 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 95.7 mmm -72.27 -27.78 62.7 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.824 0.702 . . . . 0.0 111.429 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.5 tp -70.04 -43.1 71.96 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.3 mt . . . . . 0 CA--C 1.547 0.835 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.656 -179.754 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.28 -37.98 85.11 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.962 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.47 -41.69 93.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.856 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.17 -43.92 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 124.075 0.859 . . . . 0.0 108.744 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.87 -43.33 99.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.091 0.869 . . . . 0.0 109.304 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.43 -40.46 94.53 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 123.781 0.676 . . . . 0.0 109.264 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -43.18 99.36 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -63.02 -46.1 89.21 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.296 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.36 -41.96 99.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.278 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -64.58 -40.08 94.89 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.157 0.911 . . . . 0.0 110.087 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.29 94.75 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.03 -43.03 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.832 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.61 -41.33 81.07 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -39.93 85.64 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.148 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.05 67.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.746 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -70.47 104.67 2.82 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 81.1 mt -128.3 133.64 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.31 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.27 51.54 1.83 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.693 0.759 . . . . 0.0 110.434 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -43.75 30.78 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.466 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.39 152.44 46.7 Favored 'Trans proline' 0 N--CA 1.516 2.849 0 C-N-CA 122.732 2.288 . . . . 0.0 111.945 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -54.88 -43.64 73.34 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.79 0.681 . . . . 0.0 110.832 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -63.32 -40.98 98.82 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.324 0.39 . . . . 0.0 109.976 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.02 73.49 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.357 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -64.37 -42.38 96.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.958 0.885 . . . . 0.0 109.035 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.18 -43.73 92.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.612 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.91 -32.74 74.09 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.436 1.085 . . . . 0.0 111.98 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -55.6 -62.63 1.56 Allowed 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.364 0.415 . . . . 0.0 110.557 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.8 -26.52 61.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . 0.41 HD22 HH12 ' D' ' 25' ' ' ARG . 12.5 m-20 -57.5 -45.8 84.5 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.7 -44.45 93.64 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 113.738 -1.574 . . . . 0.0 110.176 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -62.43 -46.63 87.69 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.725 0.641 . . . . 0.0 112.722 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.72 -51.14 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.93 -44.84 94.98 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.599 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.86 -47.31 80.71 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 123.647 0.592 . . . . 0.0 111.728 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.34 -50.61 70.94 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.66 0.6 . . . . 0.0 109.69 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.2 -44.23 95.3 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.18 -42.52 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 124.971 1.419 . . . . 0.0 109.687 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.09 -45.4 93.06 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.431 HD12 HG22 ' C' ' 40' ' ' ILE . 44.6 mt -66.91 -40.46 85.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.428 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 74.1 m -56.42 -49.98 72.96 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.57 -41.45 98.93 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.62 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.4 tp -70.68 -23.68 62.53 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.763 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -39.01 64.29 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.29 -41.59 93.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 77.9 m -62.24 -41.28 98.27 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.59 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 1.1 mm -61.92 -44.64 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.444 0.698 . . . . 0.0 110.276 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.34 -47.79 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 123.709 0.631 . . . . 0.0 110.427 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mmm -72.98 -26.91 61.52 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.717 0.635 . . . . 0.0 111.264 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -69.97 -42.12 73.57 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 CA--C 1.548 0.901 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.788 179.81 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.91 -38.24 81.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.25 -41.77 93.95 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.831 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.27 -44.82 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.31 -41.33 98.93 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 124.237 0.96 . . . . 0.0 109.338 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.18 -40.59 96.54 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.901 0.751 . . . . 0.0 109.021 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -42.9 99.61 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -62.63 -46.05 90.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.244 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.74 -41.8 99.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.178 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.53 -40.05 94.88 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.119 0.887 . . . . 0.0 110.246 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.24 94.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.21 -42.83 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.879 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.4 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -57.69 -41.35 81.48 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.102 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.4 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -67.35 -39.96 85.8 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.15 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.37 -26.03 67.56 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.738 0.649 . . . . 0.0 110.813 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -70.56 104.61 2.84 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.812 0.695 . . . . 0.0 109.219 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.97 133.56 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.358 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.19 51.1 1.71 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 123.898 0.749 . . . . 0.0 110.46 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -43.85 34.28 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.405 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.97 152.84 41.29 Favored 'Trans proline' 0 N--CA 1.517 2.894 0 C-N-CA 122.387 2.058 . . . . 0.0 111.782 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.43 -43.53 75.44 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.859 0.724 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.68 -41.49 71.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.52 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.41 HH12 HD22 ' C' ' 30' ' ' ASN . 8.0 ttt-85 -64.85 -42.04 95.2 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -58.92 -43.68 91.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.475 -1.693 . . . . 0.0 107.478 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.91 -32.87 74.24 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.195 0.934 . . . . 0.0 112.637 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -54.91 -63.59 1.1 Allowed 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.42 0.45 . . . . 0.0 110.368 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -71.69 -27.15 62.84 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -57.19 -45.21 83.95 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.11 -44.67 91.54 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.885 -1.507 . . . . 0.0 110.322 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -62.3 -45.8 91.63 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.0 -51.21 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.1 -43.94 97.07 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.663 1.227 . . . . 0.0 110.986 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -56.96 -47.44 80.71 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.771 0.669 . . . . 0.0 111.96 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.32 -50.63 70.89 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.513 0.508 . . . . 0.0 109.833 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.65 -44.17 93.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.592 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.7 -42.42 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 124.64 1.213 . . . . 0.0 109.394 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.27 -45.5 93.08 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.423 HD12 HG22 ' D' ' 40' ' ' ILE . 82.9 mt -67.54 -40.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 123.758 0.661 . . . . 0.0 110.457 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.3 m -54.28 -50.39 67.37 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.739 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.84 -25.12 61.84 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.454 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.21 -40.53 74.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.02 -42.18 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.304 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.27 -40.74 97.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.87 0.731 . . . . 0.0 110.188 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.68 -44.41 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.1 -42.34 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 124.468 1.105 . . . . 0.0 112.081 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.63 -46.65 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 96.0 mmm -73.73 -26.99 60.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.536 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -70.09 -42.63 72.46 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.554 1.112 0 CA-C-N 113.817 -1.538 . . . . 0.0 108.396 179.59 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.12 -38.14 82.13 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.08 -41.74 94.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.944 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.36 -44.66 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.37 -41.47 98.82 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.34 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.23 -40.31 95.73 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.867 0.729 . . . . 0.0 109.049 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -42.99 99.72 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.75 -46.03 89.94 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.373 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.73 -41.84 99.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.126 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -64.37 -40.12 95.21 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.95 0.781 . . . . 0.0 110.302 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.05 95.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.33 -42.81 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.74 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.402 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.6 ttp180 -57.76 -41.34 81.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.949 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -67.27 -39.99 86.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.161 177.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.01 67.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.8 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 25.8 p -70.56 104.77 2.89 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -127.86 133.69 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.343 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.88 50.43 1.54 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.555 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -43.65 30.7 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.128 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.12 152.74 42.98 Favored 'Trans proline' 0 N--CA 1.519 3.008 0 C-N-CA 122.434 2.089 . . . . 0.0 111.737 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -54.97 -44.28 74.24 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.377 0.423 . . . . 0.0 110.688 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -63.08 -40.8 98.75 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.045 0.841 . . . . 0.0 110.119 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.57 71.96 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.088 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -64.43 -42.51 95.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.941 0.876 . . . . 0.0 108.741 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -57.99 -44.09 86.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 113.498 -1.683 . . . . 0.0 107.396 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -62.57 -32.77 73.81 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.497 1.123 . . . . 0.0 112.875 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -54.76 -63.83 1.03 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.654 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.01 -26.05 62.07 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -57.88 -45.2 86.75 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.17 -44.68 91.33 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.515 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -62.49 -46.05 90.23 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.862 0.726 . . . . 0.0 112.837 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.62 -51.28 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.84 -44.3 96.51 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.374 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.07 -47.14 81.71 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.689 0.618 . . . . 0.0 111.166 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -62.88 -50.39 71.08 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.157 0.503 . . . . 0.0 110.063 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -44.54 93.71 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.11 -43.43 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 125.112 1.507 . . . . 0.0 108.779 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.94 -46.25 90.01 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.47 HG22 HD12 ' E' ' 40' ' ' ILE . 53.2 mt -65.95 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.18 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.8 m -58.17 -49.27 77.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.31 -40.92 97.91 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 124.514 1.134 . . . . 0.0 109.595 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.82 -51.02 64.36 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.305 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -41.77 35.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.203 0.601 . . . . 0.0 109.942 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -43.74 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.358 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.98 -38.53 91.4 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.287 0.367 . . . . 0.0 110.666 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 77.1 mt -62.17 -44.94 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.11 -40.85 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.67 -47.04 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 98.1 mmm -65.3 -49.99 67.38 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -52.59 -43.01 65.04 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.257 0.973 . . . . 0.0 109.537 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 CA--C 1.552 1.057 0 O-C-N 124.536 1.147 . . . . 0.0 108.081 178.788 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.13 -36.32 81.42 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.53 -42.68 95.59 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.342 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.93 -45.23 97.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 O-C-N 124.118 0.886 . . . . 0.0 108.874 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -60.52 -44.56 95.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 124.114 0.884 . . . . 0.0 109.555 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.474 ' HH ' HH22 ' A' ' 13' ' ' ARG . 91.2 t80 -62.69 -41.12 98.94 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.892 0.745 . . . . 0.0 109.409 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.87 -43.16 99.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.869 0.731 . . . . 0.0 109.299 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.68 -46.74 86.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.289 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -61.97 -43.41 98.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.24 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -63.88 -40.81 97.4 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.989 0.806 . . . . 0.0 110.522 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.36 92.8 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.545 0.528 . . . . 0.0 109.777 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.88 -42.8 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.19 0.931 . . . . 0.0 109.073 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.474 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.9 ttp180 -58.67 -41.98 87.43 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.543 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -39.91 72.81 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.921 0.763 . . . . 0.0 109.722 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.62 1.18 12.77 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.148 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -83.65 54.38 2.85 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.182 0.515 . . . . 0.0 111.111 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.09 100.84 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -142.89 135.75 27.96 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.705 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -51.4 -52.96 54.7 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.48 -41.87 45.27 Favored 'Trans proline' 0 N--CA 1.512 2.579 0 C-N-CA 122.091 1.861 . . . . 0.0 112.169 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -67.84 -35.84 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.824 0.703 . . . . 0.0 110.434 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -71.16 -40.4 71.33 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.903 0.752 . . . . 0.0 109.58 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.88 32.02 2.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.607 0.763 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' A' ' 27' ' ' ASN . 51.1 ttt180 -72.81 146.6 46.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.824 0.821 . . . . 0.0 110.652 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.52 -39.63 73.68 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.094 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' H ' ' HG2' ' A' ' 25' ' ' ARG . 2.9 t30 -68.59 -12.45 61.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.48 -1.236 . . . . 0.0 113.159 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -26.11 67.62 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 118.857 0.753 . . . . 0.0 109.638 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -57.73 -35.59 70.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.165 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.02 -45.41 86.94 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.13 0.894 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.26 -45.71 93.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.39 -53.48 28.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.107 0.879 . . . . 0.0 112.566 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.74 -45.08 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 O-C-N 123.173 0.296 . . . . 0.0 110.824 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -63.43 -42.42 98.69 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.596 0.56 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -57.46 -47.71 81.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.34 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.1 t -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.864 0.728 . . . . 0.0 111.298 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.4 mt -70.43 -43.2 70.42 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.379 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.62 -41.92 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.996 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.55 -44.53 96.86 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.75 -41.8 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.349 1.03 . . . . 0.0 109.25 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.4 m -60.84 -52.34 65.47 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.02 0.528 . . . . 0.0 110.346 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.36 -41.38 93.55 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 123.736 0.647 . . . . 0.0 109.923 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -66.62 -47.36 72.87 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -36.91 56.14 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 122.688 0.395 . . . . 0.0 110.477 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.88 -43.24 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.7 -37.9 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.58 -43.24 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -63.68 -44.43 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.598 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.92 -45.43 98.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 123.961 0.788 . . . . 0.0 109.65 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.1 mmm -62.1 -51.64 67.1 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.29 -41.62 72.53 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 123.883 0.739 . . . . 0.0 110.294 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.544 0.75 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.112 178.295 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.03 80.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.55 -42.68 95.53 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.449 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 124.131 0.894 . . . . 0.0 108.879 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -61.95 -44.52 96.6 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.083 0.864 . . . . 0.0 109.437 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.478 ' HH ' HH22 ' B' ' 13' ' ' ARG . 91.4 t80 -62.87 -41.93 99.57 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.753 0.658 . . . . 0.0 109.466 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.7 -43.58 98.58 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.677 0.611 . . . . 0.0 109.545 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.54 -46.06 90.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.238 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.49 -43.25 99.26 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.101 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.63 -40.68 97.49 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.098 0.874 . . . . 0.0 110.529 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.43 92.44 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.831 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.82 -42.83 95.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.114 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.478 HH22 ' HH ' ' B' ' 6' ' ' TYR . 50.1 ttp180 -58.62 -41.84 86.85 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.634 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.403 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -71.05 -39.97 71.94 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.803 0.689 . . . . 0.0 109.739 178.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.14 12.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.166 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 54.49 2.93 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.229 0.538 . . . . 0.0 111.082 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.52 100.23 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -142.58 135.39 28.17 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.759 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 65.0 mtt -51.2 -52.89 54.64 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.535 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.73 -41.66 44.9 Favored 'Trans proline' 0 N--CA 1.511 2.541 0 C-N-CA 122.015 1.81 . . . . 0.0 112.189 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -67.73 -35.61 79.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.855 0.722 . . . . 0.0 110.411 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.68 -40.26 69.7 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 124.045 0.84 . . . . 0.0 109.656 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.92 33.07 2.43 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.453 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.26 146.49 45.36 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -56.04 -39.17 71.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.427 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.72 -12.71 61.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.94 -1.482 . . . . 0.0 113.369 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -26.31 67.17 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 118.654 0.661 . . . . 0.0 109.535 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.97 -35.68 71.52 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.198 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.93 -45.49 86.5 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 124.058 0.849 . . . . 0.0 109.837 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.27 -45.26 95.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.59 -53.22 29.96 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.178 0.924 . . . . 0.0 112.809 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.61 -45.18 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 123.216 0.322 . . . . 0.0 110.916 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -62.69 -41.73 99.26 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 123.394 0.434 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -59.38 -47.65 84.63 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.394 0.433 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -65.6 -30.56 71.3 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.509 0.506 . . . . 0.0 111.686 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 40' ' ' ILE . 48.2 mt -72.16 -70.64 0.32 Allowed 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -32.89 -43.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.684 0 O-C-N 124.974 1.422 . . . . 0.0 110.449 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.41 -48.75 79.76 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' B' ' 37' ' ' LEU . 21.2 mm -63.52 -41.42 92.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 124.102 0.876 . . . . 0.0 108.658 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 61.0 m -61.16 -52.97 62.61 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.755 0.659 . . . . 0.0 109.949 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -59.42 -40.0 85.29 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.104 0.878 . . . . 0.0 109.334 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.09 -47.8 73.03 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -35.1 61.78 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 122.554 0.341 . . . . 0.0 110.509 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.47 -42.79 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -66.2 -37.51 85.75 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.39 -42.1 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.288 0.992 . . . . 0.0 110.073 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.46 -43.71 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.7 mmm -70.54 -28.56 65.02 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.251 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -41.06 68.94 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 114.297 -1.319 . . . . 0.0 110.152 178.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.13 -35.84 79.96 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.69 -42.65 95.18 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.266 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.31 -44.14 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.004 0.815 . . . . 0.0 108.876 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -61.35 -44.56 96.97 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 124.188 0.93 . . . . 0.0 109.367 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.469 ' HH ' HH22 ' C' ' 13' ' ' ARG . 85.5 t80 -63.26 -41.08 99.01 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 123.786 0.679 . . . . 0.0 109.497 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.17 -42.89 99.7 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.809 0.693 . . . . 0.0 109.565 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.82 -46.44 87.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -62.82 -42.34 99.68 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.201 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -62.93 -41.83 99.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.269 0.98 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.37 88.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.014 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.42 -42.74 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.469 HH22 ' HH ' ' C' ' 6' ' ' TYR . 48.6 ttp180 -58.55 -41.74 86.26 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.441 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.428 HH22 HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -71.32 -39.7 71.23 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.817 0.698 . . . . 0.0 109.893 178.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.39 0.9 13.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.103 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -84.1 54.63 3.01 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.239 0.542 . . . . 0.0 111.076 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.78 100.1 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mp0 -142.47 135.4 28.4 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.958 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.12 -52.76 55.52 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.687 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.52 -41.99 44.01 Favored 'Trans proline' 0 N--CA 1.513 2.672 0 C-N-CA 121.996 1.797 . . . . 0.0 112.348 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -67.39 -35.97 80.37 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.75 -40.78 69.11 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.461 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.2 32.56 2.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.21 147.31 44.81 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 122.869 1.319 . . . . 0.0 110.736 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.18 -39.4 75.26 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.373 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -68.79 -12.84 61.94 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.581 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -26.27 67.26 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 118.977 0.808 . . . . 0.0 109.433 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -57.36 -35.54 70.06 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.27 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.84 -46.03 85.36 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.866 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.08 -46.05 92.24 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.45 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.66 -53.06 37.92 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.81 -44.77 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 123.13 0.269 . . . . 0.0 110.809 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -64.14 -41.52 97.17 Favored 'General case' 0 C--O 1.203 -1.371 0 O-C-N 123.806 0.691 . . . . 0.0 110.483 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.84 -47.09 81.15 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.581 0.551 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.55 -49.02 75.1 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.785 0.678 . . . . 0.0 109.663 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.61 -42.36 92.45 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.651 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -42.2 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 124.272 0.982 . . . . 0.0 108.947 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.8 -44.49 96.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 31.8 mm -64.47 -42.69 96.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 O-C-N 124.263 0.977 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.9 m -61.4 -51.92 66.74 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.457 0.473 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -59.95 -41.25 91.48 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 124.068 0.855 . . . . 0.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.29 -47.9 72.13 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 123.811 0.695 . . . . 0.0 109.232 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -39.3 62.17 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 123.258 0.349 . . . . 0.0 110.136 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.73 -42.58 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 61.9 m -63.08 -40.45 97.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.58 -41.88 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.47 -44.5 99.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 123.938 0.774 . . . . 0.0 109.132 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -45.02 98.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.54 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.3 mmm -62.03 -50.92 70.07 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.167 0.917 . . . . 0.0 109.336 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.04 -41.91 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.788 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.548 0.899 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.915 178.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.81 -35.88 79.51 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.6 -42.71 95.37 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.441 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.31 -44.04 97.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 124.057 0.848 . . . . 0.0 108.891 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.45 -44.72 96.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.318 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.466 ' HH ' HH22 ' D' ' 13' ' ' ARG . 91.8 t80 -62.99 -41.73 99.66 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 123.889 0.743 . . . . 0.0 109.644 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.86 -43.36 99.01 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.743 0.652 . . . . 0.0 109.505 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.71 -46.08 89.76 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.161 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.4 -43.4 98.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.09 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.7 -40.4 96.68 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.017 0.823 . . . . 0.0 110.631 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.34 92.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.763 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.83 -42.77 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.217 0.948 . . . . 0.0 109.152 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.466 HH22 ' HH ' ' D' ' 6' ' ' TYR . 50.0 ttp180 -58.67 -41.83 87.07 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.557 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.413 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.95 -39.94 72.29 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.728 0.642 . . . . 0.0 109.762 178.34 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 1.09 12.69 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.1 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 54.64 2.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.235 0.54 . . . . 0.0 110.967 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.79 100.3 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 121.869 0.842 . . . . 0.0 108.742 177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -142.65 135.54 28.2 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.673 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.2 -52.88 54.76 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.564 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -60.75 -41.6 45.12 Favored 'Trans proline' 0 N--CA 1.51 2.485 0 C-N-CA 122.063 1.842 . . . . 0.0 112.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.01 -35.18 77.88 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.771 0.669 . . . . 0.0 110.464 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.1 -40.26 68.3 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 124.102 0.876 . . . . 0.0 109.641 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.29 33.99 2.29 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.974 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -73.39 146.61 45.0 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.528 0.68 . . . . 0.0 110.674 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -57.06 -39.23 74.5 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.036 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.08 -12.7 61.91 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 113.782 -1.554 . . . . 0.0 113.357 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -26.56 66.67 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 119.032 0.833 . . . . 0.0 109.556 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.63 -35.24 70.23 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.187 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.03 -45.7 86.54 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 124.196 0.935 . . . . 0.0 109.845 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.44 -46.16 91.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.64 -52.86 40.34 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.931 0.769 . . . . 0.0 112.921 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.78 -45.02 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 123.08 0.238 . . . . 0.0 110.769 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.04 -41.28 97.45 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.48 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -56.86 -47.45 80.36 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.976 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -62.79 -48.93 76.99 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.6 0.563 . . . . 0.0 109.988 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.26 -42.6 95.72 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.995 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.76 -42.17 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.26 -45.24 95.3 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 34.6 mm -63.94 -41.7 93.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 124.301 1.001 . . . . 0.0 110.202 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 78.6 m -61.68 -51.27 69.12 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.616 0.572 . . . . 0.0 110.304 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.36 -41.28 93.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.812 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.94 -47.99 72.87 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -37.52 59.63 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.472 0.483 . . . . 0.0 110.066 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 53.9 mt -62.03 -42.91 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.74 -37.96 87.83 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.62 -44.13 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.74 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.07 -45.33 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 124.163 0.915 . . . . 0.0 109.396 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -62.17 -51.45 67.77 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.06 -41.88 72.03 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.431 0.692 . . . . 0.0 110.659 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.222 178.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -36.07 80.29 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.44 -42.8 95.78 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.455 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.19 -44.13 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 124.07 0.856 . . . . 0.0 108.927 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -61.58 -44.61 96.69 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.378 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.459 ' HH ' HH22 ' E' ' 13' ' ' ARG . 91.6 t80 -63.04 -41.7 99.57 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.813 0.696 . . . . 0.0 109.529 177.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.82 -43.27 99.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.915 0.759 . . . . 0.0 109.559 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -62.93 -45.94 90.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.835 0.709 . . . . 0.0 109.252 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.57 -43.24 99.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.71 -40.41 96.7 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.028 0.83 . . . . 0.0 110.624 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.34 91.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.765 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.71 -42.91 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 124.192 0.932 . . . . 0.0 109.165 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.459 HH22 ' HH ' ' E' ' 6' ' ' TYR . 50.2 ttp180 -58.54 -41.97 86.76 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.652 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.402 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -71.0 -39.98 72.09 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.727 0.642 . . . . 0.0 109.635 178.511 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.44 1.26 12.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.223 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -84.09 54.55 2.98 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.283 0.563 . . . . 0.0 111.036 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.8 100.15 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.942 0.877 . . . . 0.0 108.741 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -142.5 135.67 28.6 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.77 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.37 -53.05 53.67 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.421 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -60.54 -41.54 47.38 Favored 'Trans proline' 0 N--CA 1.506 2.255 0 C-N-CA 122.053 1.836 . . . . 0.0 112.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -67.54 -36.04 80.22 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.792 0.683 . . . . 0.0 110.323 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.55 -40.46 70.0 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.393 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.05 33.15 2.45 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 124.11 0.881 . . . . 0.0 110.05 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -72.93 147.06 45.62 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 122.266 1.031 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.53 -39.53 73.53 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.336 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.56 -11.77 61.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.635 -1.166 . . . . 0.0 113.629 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -26.38 67.14 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 118.938 0.79 . . . . 0.0 109.713 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -56.99 -36.07 69.94 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.596 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.23 -45.51 87.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 124.516 1.135 . . . . 0.0 109.646 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.61 -45.65 93.17 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.464 0.478 . . . . 0.0 111.207 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.78 -53.17 29.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.19 -45.05 97.43 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.883 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.71 -41.6 98.07 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 124.409 1.068 . . . . 0.0 110.43 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -56.88 -46.62 81.76 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.591 0.557 . . . . 0.0 111.072 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.64 -49.73 72.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.5 -43.82 89.19 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.407 1.067 . . . . 0.0 110.317 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.69 -43.2 94.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.639 0.775 . . . . 0.0 109.307 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.13 -45.36 93.29 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 34.2 mm -64.29 -42.53 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.194 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.5 m -61.26 -51.76 67.58 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.291 0.369 . . . . 0.0 110.465 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.5 -42.25 91.76 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.538 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -65.78 -48.08 72.98 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.37 -35.6 51.8 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.596 0.359 . . . . 0.0 110.839 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.5 -42.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -65.9 -38.64 89.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.26 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.62 -45.19 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.32 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.81 -45.3 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.087 0.867 . . . . 0.0 109.554 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 79.8 mmm -62.03 -51.22 68.87 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.48 -41.41 72.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.514 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.127 178.24 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mtt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.18 -36.04 76.73 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.6 -42.56 95.47 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.538 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.44 -43.88 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 124.003 0.814 . . . . 0.0 108.99 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -60.59 -45.25 94.68 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.396 1.06 . . . . 0.0 109.079 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -63.49 -40.79 98.01 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.456 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.63 -42.99 99.67 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.707 0.629 . . . . 0.0 109.492 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.53 -46.11 89.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.5 -42.69 99.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.029 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -64.33 -40.24 95.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.611 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.2 94.47 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.509 0.505 . . . . 0.0 109.667 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.76 -42.4 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.998 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.5 ttp180 -60.49 -43.34 97.1 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.605 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.425 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -65.71 -43.78 88.1 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.824 179.053 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.79 89.94 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.02 0.825 . . . . 0.0 109.771 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.5 p -64.08 -50.48 68.17 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.304 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 tt -161.56 133.07 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.372 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.82 138.58 56.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 mtm -150.17 -58.17 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 124.05 0.844 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -83.03 -178.32 3.78 Favored 'Trans proline' 0 N--CA 1.514 2.701 0 C-N-CA 122.89 2.394 . . . . 0.0 113.441 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.44 -44.3 79.05 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -135.79 -54.29 0.77 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.479 1.112 . . . . 0.0 108.473 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.26 153.17 39.45 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.883 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -79.12 77.12 5.62 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.594 1.188 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 46.97 43.82 14.1 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 112.17 -2.286 . . . . 0.0 109.819 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.56 -13.82 24.76 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.289 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.51 -49.29 78.15 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -64.24 -39.37 93.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.621 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.9 -43.8 94.63 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.7 0.625 . . . . 0.0 109.615 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.95 -43.8 98.09 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.2 -55.05 10.3 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.77 -47.88 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.923 0.765 . . . . 0.0 112.038 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -62.42 -41.92 99.06 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.301 0.375 . . . . 0.0 111.065 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -58.77 -46.28 87.86 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.621 0.576 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -66.62 -35.11 79.39 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.892 0.745 . . . . 0.0 111.428 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.42 -44.3 68.19 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.65 0.738 . . . . 0.0 109.659 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.45 -41.66 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.196 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.11 -44.54 96.44 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mm -63.25 -43.82 98.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.2 m -56.51 -45.74 80.9 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.737 0.303 . . . . 0.0 110.4 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.09 -35.23 80.47 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.825 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 tp -74.54 -30.07 61.62 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.377 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.95 -39.09 90.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.58 -43.04 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.0 -37.59 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.755 0.659 . . . . 0.0 109.563 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.19 -41.91 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.0 mm -64.18 -42.43 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -43.16 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.5 mmm -66.78 -36.75 83.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.058 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.64 -42.63 99.16 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.93 177.46 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.77 -36.39 74.32 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.843 0.354 . . . . 0.0 110.087 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.69 -42.81 95.06 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.622 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.72 -43.59 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 124.057 0.848 . . . . 0.0 109.205 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -60.97 -45.32 95.23 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.375 1.047 . . . . 0.0 109.099 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.56 -40.66 97.57 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 123.741 0.65 . . . . 0.0 109.35 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.56 -43.29 99.13 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.743 0.652 . . . . 0.0 109.405 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.44 -46.11 90.02 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.53 -42.64 99.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.969 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.0 m -64.3 -40.23 95.51 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.673 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.14 94.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.755 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.62 -42.69 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.868 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.428 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.5 ttp180 -60.4 -43.29 96.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.68 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.428 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -65.88 -43.66 87.66 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.961 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.34 91.34 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.122 0.889 . . . . 0.0 109.828 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -64.54 -50.69 66.35 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 tt -161.85 133.28 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.357 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.43 139.67 57.11 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.41 ' H ' ' HD2' ' B' ' 21' ' ' PRO . 8.8 mtm -152.01 -58.1 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 O-C-N 124.182 0.926 . . . . 0.0 110.351 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' H ' ' B' ' 20' ' ' MET . 73.5 Cg_endo -80.98 -178.12 4.18 Favored 'Trans proline' 0 N--CA 1.513 2.657 0 C-N-CA 122.43 2.086 . . . . 0.0 113.576 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -45.06 84.35 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -139.88 -50.14 0.48 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.0 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.04 152.24 37.08 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -78.89 76.22 5.38 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.066 0.936 . . . . 0.0 111.775 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 46.96 44.07 14.33 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 112.613 -2.085 . . . . 0.0 109.509 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.05 -14.37 23.18 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.086 -1.415 . . . . 0.0 113.417 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.8 -49.83 75.91 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.29 -39.28 93.6 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.571 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.68 -44.22 93.71 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 123.99 0.806 . . . . 0.0 109.677 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.907 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.79 -55.71 7.96 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.935 0.772 . . . . 0.0 112.68 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.33 -45.86 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -62.62 -42.79 99.79 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.447 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.81 -46.09 91.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.753 0.658 . . . . 0.0 110.109 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 98.3 m -62.47 -31.54 72.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.765 0.666 . . . . 0.0 111.717 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' ILE . 52.4 mt -76.59 -68.14 0.63 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.44 -42.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 124.217 0.948 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.37 -48.49 81.03 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 123.362 0.413 . . . . 0.0 110.372 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' B' ' 37' ' ' LEU . 17.6 mm -61.96 -42.72 95.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.284 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 51.8 m -55.34 -46.37 76.37 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.36 -33.66 75.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.965 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.77 -30.74 62.95 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.38 -38.6 90.51 Favored 'General case' 0 C--N 1.367 1.35 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.82 -42.67 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -64.28 -37.25 86.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 123.898 0.749 . . . . 0.0 109.689 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.36 -42.0 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.26 -42.1 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.68 -43.19 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.48 -37.21 84.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.113 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.56 -42.55 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 CA--C 1.543 0.696 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.933 177.256 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -58.91 -36.48 74.78 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.56 -42.71 95.49 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.87 -43.52 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 123.857 0.723 . . . . 0.0 109.059 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -61.12 -44.97 96.52 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.423 1.077 . . . . 0.0 108.857 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.74 -40.1 95.89 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.423 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.32 -42.22 99.19 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 123.615 0.572 . . . . 0.0 109.482 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -62.58 -46.72 87.05 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.113 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -63.12 -41.92 99.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.322 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.1 90.61 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.015 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.19 -42.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.992 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.426 HH21 ' NH2' ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.63 -43.13 97.87 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.485 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.426 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER -65.57 -43.64 89.19 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.976 0.797 . . . . 0.0 110.015 178.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.91 90.08 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.112 0.883 . . . . 0.0 109.683 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -63.91 -50.78 67.39 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 tt -161.73 133.88 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.414 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 139.01 56.79 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.327 0.392 . . . . 0.0 110.055 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.0 mtm -151.25 -58.33 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 124.19 0.931 . . . . 0.0 110.379 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -82.01 -179.78 5.02 Favored 'Trans proline' 0 N--CA 1.514 2.691 0 C-N-CA 122.674 2.249 . . . . 0.0 113.374 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.8 -44.4 81.34 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -137.5 -50.31 0.61 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.22 0.95 . . . . 0.0 109.262 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.63 153.13 37.88 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.901 0.751 . . . . 0.0 111.125 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -80.83 76.84 7.74 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 123.008 1.385 . . . . 0.0 111.799 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 47.23 43.18 14.48 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 111.976 -2.375 . . . . 0.0 109.167 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.47 -14.68 30.82 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.888 -1.505 . . . . 0.0 112.92 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -49.13 78.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.92 -39.07 92.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.876 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.58 -44.34 93.35 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.553 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.32 -43.85 98.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.031 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.53 -55.24 9.36 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.713 0.633 . . . . 0.0 112.694 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.66 -47.14 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.918 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -62.42 -41.64 98.85 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.676 0.61 . . . . 0.0 110.474 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.77 -47.0 87.42 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.395 0.435 . . . . 0.0 110.743 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -64.79 -32.66 74.45 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.602 0.564 . . . . 0.0 111.624 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.8 mt -70.5 -70.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 68.2 mt -34.81 -42.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 124.811 1.32 . . . . 0.0 110.221 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 mt -62.47 -48.52 79.26 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' C' ' 37' ' ' LEU . 10.2 mm -61.29 -43.2 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 123.919 0.762 . . . . 0.0 109.035 177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 58.0 m -56.16 -46.0 79.48 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.34 -33.37 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.946 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.48 -29.86 61.61 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.575 0.547 . . . . 0.0 111.429 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.83 -38.49 89.05 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.85 -43.03 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.13 -37.45 87.48 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.65 0.594 . . . . 0.0 109.693 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.1 -41.86 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -64.34 -42.01 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.74 -43.01 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.5 mmm -66.65 -37.0 83.91 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.965 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.71 -42.48 99.0 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.054 177.216 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.61 -36.58 74.25 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.197 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.54 -42.89 95.45 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 124.174 0.922 . . . . 0.0 109.573 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.69 -43.88 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 124.113 0.883 . . . . 0.0 109.057 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.65 -45.44 94.07 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.113 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.66 -40.54 97.11 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.845 0.715 . . . . 0.0 109.497 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.79 -43.12 99.48 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.47 -46.13 89.92 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.41 -42.79 99.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.047 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 68.5 m -64.38 -40.23 95.41 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.092 0.87 . . . . 0.0 110.533 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.25 94.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.75 -42.44 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.902 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.47 -43.26 97.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.578 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -65.84 -43.57 88.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.949 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.91 89.87 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.765 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 51.1 p -64.03 -50.78 67.11 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.395 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 tt -161.58 133.96 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 123.989 0.806 . . . . 0.0 109.54 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 138.71 56.44 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.412 0.445 . . . . 0.0 109.976 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 9.0 mtm -151.1 -58.34 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 124.143 0.902 . . . . 0.0 110.374 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -82.0 179.46 5.58 Favored 'Trans proline' 0 N--CA 1.513 2.665 0 C-N-CA 122.598 2.199 . . . . 0.0 113.426 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.78 -43.22 84.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -137.8 -51.53 0.62 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.077 0.86 . . . . 0.0 109.164 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.83 153.62 38.35 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -80.34 77.51 7.1 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 122.306 1.051 . . . . 0.0 111.955 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.417 ' NE2' HE22 ' E' ' 26' ' ' GLN . 85.8 mt-30 47.28 42.8 14.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 112.262 -2.245 . . . . 0.0 108.732 -177.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -61.25 -14.5 26.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.979 -1.464 . . . . 0.0 113.532 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.82 -38.54 89.19 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.491 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.85 -44.38 94.15 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 123.743 0.652 . . . . 0.0 109.485 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.53 -43.99 97.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.13 -54.86 11.12 Favored 'General case' 0 C--O 1.245 0.858 0 O-C-N 123.85 0.719 . . . . 0.0 112.364 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -47.5 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 123.169 0.293 . . . . 0.0 111.764 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.36 -41.29 98.83 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.252 0.345 . . . . 0.0 110.598 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -57.43 -46.38 83.63 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.084 0.24 . . . . 0.0 111.042 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.77 -50.39 71.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.524 0.515 . . . . 0.0 109.722 179.31 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -58.8 -44.01 90.68 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.914 0.864 . . . . 0.0 110.532 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.24 -42.81 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.51 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.61 -44.56 96.14 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.74 -44.4 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.6 m -57.09 -44.89 83.58 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.641 0.588 . . . . 0.0 110.09 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.81 -35.35 80.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.193 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.41 -29.75 61.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.412 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.19 -38.57 88.34 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.02 -42.96 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -64.01 -37.44 87.44 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.742 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 51.8 mt -63.05 -41.89 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 26.1 mm -64.3 -42.27 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.519 0.512 . . . . 0.0 109.669 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.46 -43.21 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.5 mmm -66.6 -36.89 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.088 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.54 -42.75 99.29 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.144 177.298 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.24 -36.47 73.25 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.5 -42.78 95.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.825 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.77 -43.79 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 124.042 0.839 . . . . 0.0 109.137 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.61 -45.35 94.36 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.482 1.114 . . . . 0.0 109.114 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.85 -40.33 96.31 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.352 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.78 -43.14 99.43 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.77 -46.18 89.21 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.993 0.808 . . . . 0.0 108.981 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.24 -42.75 99.6 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.088 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -40.4 95.94 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.553 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.05 94.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.556 0.535 . . . . 0.0 109.749 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.7 -42.47 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.887 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.423 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.5 ttp180 -60.63 -43.13 97.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.612 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.423 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -65.92 -43.61 87.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.948 0.78 . . . . 0.0 109.902 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.2 91.3 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 124.101 0.875 . . . . 0.0 109.687 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -64.15 -50.49 67.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.211 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 14.8 tt -161.91 132.89 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.704 0 O-C-N 124.04 0.837 . . . . 0.0 109.261 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 138.95 57.38 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mtm -150.29 -58.45 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 O-C-N 124.067 0.855 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.43 -179.0 4.31 Favored 'Trans proline' 0 N--CA 1.515 2.757 0 C-N-CA 122.72 2.28 . . . . 0.0 113.498 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.68 -44.18 82.45 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.24 -52.21 0.66 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 124.257 0.973 . . . . 0.0 108.986 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.62 152.98 38.79 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.702 0.626 . . . . 0.0 110.966 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -79.35 76.29 5.92 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 122.78 1.276 . . . . 0.0 111.714 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.417 HE22 ' NE2' ' D' ' 26' ' ' GLN . 86.3 mt-30 47.05 43.84 14.43 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.032 -2.349 . . . . 0.0 109.379 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.1 -14.65 25.72 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 113.939 -1.482 . . . . 0.0 113.066 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.73 -48.66 80.8 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -65.33 -39.08 91.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.724 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.88 -44.22 94.3 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.921 0.763 . . . . 0.0 109.48 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.24 -44.0 97.97 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.006 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.89 -54.61 12.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.56 -46.79 91.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 123.57 0.544 . . . . 0.0 111.946 -177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -63.38 -41.53 98.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.661 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.58 -46.14 84.35 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.505 0.503 . . . . 0.0 110.711 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.8 OUTLIER -63.55 -49.11 74.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.776 0.673 . . . . 0.0 109.806 179.243 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.52 -43.31 93.47 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.062 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.7 mt -61.22 -42.65 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 O-C-N 124.395 1.059 . . . . 0.0 108.185 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mm -63.97 -43.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.3 m -57.49 -45.52 84.78 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.46 -38.0 89.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.32 -51.28 61.66 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.33 -38.16 40.51 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.871 0.305 . . . . 0.0 110.438 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.22 -44.14 99.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -65.93 -34.56 78.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.612 0.57 . . . . 0.0 110.071 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.47 -41.82 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -64.13 -41.8 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.7 -42.74 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -66.23 -37.31 85.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.906 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 tt -61.62 -42.72 99.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.811 177.571 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.07 -36.32 81.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.53 -42.25 95.86 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.427 178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.53 -45.31 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -60.79 -44.67 96.52 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.028 0.83 . . . . 0.0 109.79 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.488 ' HH ' HH22 ' A' ' 13' ' ' ARG . 90.8 t80 -62.4 -40.44 96.52 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 124.043 0.839 . . . . 0.0 109.183 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -43.11 99.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.831 0.707 . . . . 0.0 109.167 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -62.82 -46.05 89.77 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.198 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.38 -42.12 99.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.972 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -64.69 -40.3 95.15 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.148 0.905 . . . . 0.0 110.366 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.58 95.45 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.704 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.37 -42.26 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.021 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.488 HH22 ' HH ' ' A' ' 6' ' ' TYR . 49.4 ttp180 -59.73 -43.73 94.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.306 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.407 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -65.7 -43.29 89.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 57.77 4.51 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.304 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -54.6 -21.6 10.89 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.48 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.9 tt -61.48 134.59 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.671 0.607 . . . . 0.0 110.116 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -142.12 159.42 42.26 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.831 0.707 . . . . 0.0 111.162 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -179.73 0.77 Allowed Pre-proline 0 CA--C 1.558 1.268 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.159 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.22 122.72 12.22 Favored 'Trans proline' 0 N--CA 1.507 2.281 0 C-N-CA 121.68 1.587 . . . . 0.0 110.144 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -60.75 -43.91 97.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 170.21 16.14 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -94.99 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HG2' ' H ' ' A' ' 26' ' ' GLN . 16.8 ttp85 70.87 179.89 0.24 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.683 0.754 . . . . 0.0 110.753 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.465 ' H ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 mt-30 -55.11 -48.41 73.66 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.792 -176.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -57.6 -51.84 67.85 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.51 -47.14 79.98 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 123.328 0.392 . . . . 0.0 110.2 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -58.38 -44.89 89.07 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.376 0.423 . . . . 0.0 110.106 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.77 -41.04 98.04 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.1 -33.79 76.21 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.57 -27.83 68.72 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.57 -43.43 98.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.96 -42.22 93.6 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.111 0.882 . . . . 0.0 109.621 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -59.63 -44.38 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.3 t -68.82 -35.75 77.36 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.352 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.82 -43.67 79.08 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 122.452 1.12 . . . . 0.0 109.654 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -61.32 -42.66 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 112.988 -1.914 . . . . 0.0 109.103 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.39 -44.29 96.79 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.162 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.438 HG22 HD12 ' A' ' 40' ' ' ILE . 1.4 mm -63.87 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.9 m -56.45 -48.94 75.99 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -39.31 93.37 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.569 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -75.36 -26.36 58.46 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.712 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.25 -34.69 68.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.02 -41.07 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.0 m -62.32 -40.83 97.61 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.43 -43.35 96.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.35 -44.44 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.142 0.901 . . . . 0.0 110.186 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.25 -45.64 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 124.007 0.817 . . . . 0.0 109.256 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mmm -62.54 -53.16 58.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 tp -54.04 -38.87 65.65 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.802 0.841 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.05 177.592 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.55 -36.23 81.97 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.61 -42.02 95.8 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.468 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.53 -44.06 97.73 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.953 0.783 . . . . 0.0 109.692 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.47 -40.21 95.91 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.827 0.704 . . . . 0.0 109.304 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -43.28 99.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -62.54 -46.38 88.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.23 -42.64 99.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.07 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -64.08 -40.77 96.98 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.044 0.84 . . . . 0.0 110.417 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.42 94.48 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.51 -42.58 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.062 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.432 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.6 ttp180 -60.11 -43.37 95.64 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.698 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.432 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -66.19 -43.29 87.23 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.87 88.94 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.975 0.797 . . . . 0.0 110.439 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -63.46 -22.19 66.74 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.137 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 tt -61.76 135.8 25.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 123.727 0.642 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -143.31 159.27 42.65 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.85 0.719 . . . . 0.0 110.996 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -179.2 0.71 Allowed Pre-proline 0 CA--C 1.561 1.366 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.355 177.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.66 122.06 11.06 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 C-N-CA 121.845 1.697 . . . . 0.0 110.034 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.02 -44.36 94.64 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.186 0.517 . . . . 0.0 109.881 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.3 170.27 15.95 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 -94.51 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' B' ' 26' ' ' GLN . 17.4 ttp85 71.26 178.36 0.25 Allowed 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.286 1.041 . . . . 0.0 110.502 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.454 ' H ' ' HG2' ' B' ' 25' ' ' ARG . 21.2 mt-30 -54.28 -48.25 71.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.232 -1.349 . . . . 0.0 113.141 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -57.68 -51.73 68.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 118.597 0.635 . . . . 0.0 112.684 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.19 -46.69 79.73 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.673 0.608 . . . . 0.0 109.903 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -58.55 -44.57 89.71 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 122.695 0.398 . . . . 0.0 110.255 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.86 -40.8 97.4 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.87 -34.61 77.74 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -65.33 -27.7 68.78 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.464 0.477 . . . . 0.0 109.786 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.28 -43.71 98.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -60.24 -41.94 94.22 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.809 0.693 . . . . 0.0 109.733 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.74 -44.88 93.59 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.545 0.528 . . . . 0.0 109.615 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.31 -37.21 80.37 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 123.714 0.634 . . . . 0.0 111.054 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.86 -43.61 83.14 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.6 mt -60.43 -42.17 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 125.349 1.656 . . . . 0.0 108.379 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.67 -43.75 95.77 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.455 HG22 HD12 ' B' ' 40' ' ' ILE . 1.3 mm -63.18 -42.09 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.0 m -58.59 -48.74 79.93 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.84 -40.98 97.2 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.928 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -66.58 -50.76 62.03 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -52.98 -33.72 52.67 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.963 0.347 . . . . 0.0 110.855 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.9 -42.02 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.8 m -64.59 -37.57 88.03 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.07 -43.83 97.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -61.79 -44.23 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 124.588 1.18 . . . . 0.0 110.232 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.44 -44.63 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 79.9 mmm -67.0 -32.01 72.95 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.813 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -40.9 77.0 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 CA--C 1.543 0.708 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.327 178.644 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -63.12 -36.52 83.89 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.64 -41.81 95.89 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.509 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.63 -44.62 98.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 124.28 0.988 . . . . 0.0 108.684 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.81 -43.89 97.94 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.997 0.811 . . . . 0.0 109.751 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.455 ' HH ' HH22 ' C' ' 13' ' ' ARG . 78.8 t80 -62.71 -39.78 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 124.009 0.818 . . . . 0.0 109.153 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.44 -42.75 99.68 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.867 0.73 . . . . 0.0 109.203 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.83 -46.67 86.86 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.69 -41.53 99.15 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.117 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.09 -42.09 99.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.06 90.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.253 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.19 -42.7 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.108 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.455 HH22 ' HH ' ' C' ' 6' ' ' TYR . 48.3 ttp180 -60.27 -43.3 96.32 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.379 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.435 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER -66.02 -43.15 88.49 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.204 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.87 88.95 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.948 0.78 . . . . 0.0 110.399 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -63.4 -22.45 66.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.147 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 tt -61.42 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 123.439 0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -143.38 159.03 43.13 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.901 0.751 . . . . 0.0 111.067 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 179.9 0.89 Allowed Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.132 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.69 122.19 11.31 Favored 'Trans proline' 0 N--CA 1.507 2.285 0 C-N-CA 121.827 1.684 . . . . 0.0 110.13 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -60.25 -42.39 95.21 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.62 163.32 26.98 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.027 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -83.38 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 O-C-N 123.39 0.431 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.5 HH22 HE21 ' D' ' 26' ' ' GLN . 27.9 ttp85 72.82 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 122.931 0.492 . . . . 0.0 111.63 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.406 HE21 HH22 ' B' ' 25' ' ' ARG . 4.9 mt-30 -89.51 -48.5 7.27 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.641 0.588 . . . . 0.0 112.574 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.01 -51.04 70.82 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.67 -45.36 87.05 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 124.005 0.816 . . . . 0.0 109.774 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -59.38 -43.85 92.83 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.57 -41.37 98.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.98 -34.52 77.71 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.786 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -65.26 -26.86 68.28 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.16 -44.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.36 -42.06 94.97 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.816 0.698 . . . . 0.0 109.389 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.2 -43.48 92.22 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.599 0.562 . . . . 0.0 109.819 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -50.8 65.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.044 0.84 . . . . 0.0 109.526 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.82 -44.75 82.33 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.497 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.52 -43.82 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 125.068 1.48 . . . . 0.0 108.083 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.93 -43.63 98.27 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.75 -44.28 99.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.1 m -56.65 -47.12 80.46 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.989 0.515 . . . . 0.0 109.744 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -62.68 -35.47 79.79 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.594 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.37 -28.21 47.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.131 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 mp -70.12 -35.61 74.23 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.03 -41.6 89.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.0 -41.55 98.19 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.79 -42.17 91.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mm -60.51 -44.94 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.027 0.83 . . . . 0.0 109.739 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.65 -44.94 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 72.5 mmm -66.14 -31.72 72.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.181 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 38.9 tp -74.19 -38.75 63.53 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 109.155 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 CA--C 1.543 0.696 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.267 178.366 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -62.5 -36.16 81.66 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.59 -42.02 95.85 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.33 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.57 -44.97 98.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.172 0.92 . . . . 0.0 109.74 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.42 -40.28 96.02 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.818 0.699 . . . . 0.0 109.272 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.29 -43.1 99.61 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.817 0.698 . . . . 0.0 109.123 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -62.76 -46.16 89.34 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.27 -42.65 99.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.101 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -64.01 -40.79 97.13 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.993 0.808 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.29 94.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.485 0.491 . . . . 0.0 109.716 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.54 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.013 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.422 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.6 ttp180 -60.22 -43.42 96.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.601 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.422 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -66.06 -43.33 87.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.029 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.14 89.99 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.538 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 24.9 m -63.34 -22.33 66.81 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 tt -61.5 135.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 O-C-N 123.569 0.543 . . . . 0.0 110.812 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -143.3 158.96 43.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.054 0.846 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -179.65 0.81 Allowed Pre-proline 0 CA--C 1.562 1.426 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.176 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.52 122.34 11.56 Favored 'Trans proline' 0 N--CA 1.504 2.145 0 C-N-CA 121.715 1.61 . . . . 0.0 110.05 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 170.2 16.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.99 -95.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 110.021 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.463 HH22 HE21 ' E' ' 26' ' ' GLN . 16.5 ttp85 70.9 179.01 0.25 Allowed 'General case' 0 C--N 1.369 1.43 0 O-C-N 121.422 -0.799 . . . . 0.0 110.591 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.5 HE21 HH22 ' C' ' 25' ' ' ARG . 19.5 mt-30 -55.65 -47.38 76.76 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 114.514 -1.221 . . . . 0.0 113.237 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.62 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.737 0.699 . . . . 0.0 112.473 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.13 -46.35 84.52 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -59.21 -44.37 92.27 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.66 -41.18 98.22 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.73 -34.1 76.48 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.57 -26.98 68.1 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.42 -42.1 91.07 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.389 1.056 . . . . 0.0 109.826 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.93 -44.03 94.59 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.525 0.515 . . . . 0.0 109.779 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.913 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.7 t -69.56 -34.73 74.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.59 0.556 . . . . 0.0 111.712 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.6 -43.87 71.89 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -60.49 -41.2 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.882 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.45 -43.27 94.77 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.325 1.016 . . . . 0.0 108.743 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mm -64.17 -42.57 95.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.4 m -57.66 -48.76 78.6 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.96 0.787 . . . . 0.0 109.3 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.38 -41.65 98.8 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.669 1.23 . . . . 0.0 110.453 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.17 -50.3 64.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -50.92 -35.51 33.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.868 0.467 . . . . 0.0 110.807 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.83 -42.09 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.6 m -64.56 -37.72 88.55 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.98 -43.39 97.64 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.11 -45.03 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 124.194 0.934 . . . . 0.0 110.142 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.67 -45.26 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.191 0.932 . . . . 0.0 109.052 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.3 -31.29 72.35 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.195 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.11 -38.8 63.71 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 CA--C 1.546 0.792 0 O-C-N 124.768 1.292 . . . . 0.0 110.4 178.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.14 -36.14 80.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.63 -42.01 95.77 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.511 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.71 -45.35 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -60.58 -44.6 96.04 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.109 0.881 . . . . 0.0 109.584 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.48 -40.39 96.52 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.965 0.791 . . . . 0.0 109.316 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -43.26 99.21 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.8 -46.19 89.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.204 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.19 -42.83 99.65 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.001 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.137 0.898 . . . . 0.0 110.511 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.26 94.25 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.809 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.67 -42.46 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.029 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.417 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.6 ttp180 -60.29 -43.38 96.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.577 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.417 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -66.0 -43.43 87.78 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.092 178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.99 89.4 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.042 0.839 . . . . 0.0 110.444 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -63.48 -22.27 66.79 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.167 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 tt -61.71 135.78 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 123.725 0.641 . . . . 0.0 110.701 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -143.43 158.96 43.22 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.883 0.739 . . . . 0.0 111.049 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -179.66 0.77 Allowed Pre-proline 0 CA--C 1.556 1.187 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.227 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.6 122.65 12.12 Favored 'Trans proline' 0 N--CA 1.508 2.356 0 C-N-CA 121.52 1.48 . . . . 0.0 110.336 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -60.67 -44.27 96.68 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.0 169.9 16.53 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 108.121 175.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.61 -95.03 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.464 HH22 HE21 ' A' ' 26' ' ' GLN . 16.5 ttp85 70.58 179.55 0.24 Allowed 'General case' 0 CA--C 1.558 1.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.382 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.463 HE21 HH22 ' D' ' 25' ' ' ARG . 23.3 mt-30 -55.15 -47.77 74.66 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.887 -177.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.59 -52.7 64.36 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.598 0.636 . . . . 0.0 112.683 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.19 -46.38 84.18 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.027 0.83 . . . . 0.0 110.127 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -59.11 -44.87 92.0 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.55 -41.44 98.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.31 -34.11 75.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -65.34 -27.39 68.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.21 -43.93 99.04 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.68 -41.73 91.33 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.963 0.789 . . . . 0.0 109.628 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -59.89 -43.74 94.62 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.723 0.639 . . . . 0.0 109.962 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.925 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -65.09 -48.76 72.56 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.973 0.796 . . . . 0.0 109.901 178.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.7 -44.96 86.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.336 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -61.91 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.551 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.96 -44.65 96.31 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.435 HD12 HG22 ' E' ' 40' ' ' ILE . 66.9 mt -66.29 -40.81 87.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.726 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -56.2 -47.67 77.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.56 -40.84 98.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.561 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.98 -50.57 63.85 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.37 -33.48 53.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.322 0.249 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.66 -41.58 92.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.93 -37.65 88.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.99 -43.46 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -63.36 -44.54 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.215 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.06 -45.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 O-C-N 123.926 0.766 . . . . 0.0 109.293 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mmm -62.08 -53.19 59.0 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.06 -39.43 66.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.05 177.663 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -62.43 -37.3 85.3 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.725 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.84 -45.0 96.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 124.163 0.915 . . . . 0.0 109.034 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.03 -41.31 99.49 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.025 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.1 -40.56 96.26 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.94 0.775 . . . . 0.0 109.185 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -42.74 99.47 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -62.62 -45.79 91.22 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.94 -41.46 99.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -63.69 -40.29 96.43 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.427 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.46 93.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.749 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.5 -42.5 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.132 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.1 ttp180 -59.26 -42.43 91.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.583 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -66.68 -42.02 87.15 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.89 0.744 . . . . 0.0 109.468 178.662 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.64 25.99 1.37 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.921 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -154.91 8.09 0.29 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.073 0.858 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.94 97.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -138.92 160.58 39.39 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.62 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.1 161.34 9.5 Favored Pre-proline 0 N--CA 1.477 0.908 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.889 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.5 111.53 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.719 1.613 . . . . 0.0 112.407 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -62.97 -24.5 67.92 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.398 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.67 -22.05 61.39 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.02 -53.85 0.7 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.976 1.311 . . . . 0.0 111.087 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -53.43 -50.95 64.14 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 122.57 1.176 . . . . 0.0 109.658 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.2 -41.73 79.94 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 112.962 -1.926 . . . . 0.0 109.512 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.75 -27.19 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.678 0.611 . . . . 0.0 111.937 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -42.37 98.89 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.53 -40.13 93.55 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 118.185 0.448 . . . . 0.0 109.932 177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.34 -42.28 99.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.006 0.816 . . . . 0.0 109.159 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.81 -42.28 98.82 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.872 0.733 . . . . 0.0 111.104 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.0 -59.44 2.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.24 -47.34 92.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.241 0.473 . . . . 0.0 110.443 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -56.47 -44.27 80.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.67 -53.69 37.77 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.641 1.213 . . . . 0.0 110.183 178.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.08 -46.95 75.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.398 1.094 . . . . 0.0 110.919 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -57.8 -42.15 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.035 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.86 -42.22 99.67 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD13 ' SG ' ' E' ' 41' ' ' CYS . 21.5 mm -64.14 -43.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.309 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 67.9 m -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 0.0 109.356 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.08 -40.17 94.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.591 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.52 -29.03 62.21 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.803 0.69 . . . . 0.0 111.558 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.91 -40.24 83.45 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -42.64 96.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 114.57 -1.195 . . . . 0.0 107.988 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.7 m -63.19 -38.74 92.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.921 0.763 . . . . 0.0 109.986 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.0 mt -62.09 -43.52 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.68 -42.59 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 O-C-N 123.906 0.754 . . . . 0.0 110.168 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.51 -44.66 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 123.763 0.664 . . . . 0.0 109.226 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.1 mmm -66.62 -36.3 82.26 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.229 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.68 -42.05 98.07 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.216 -0.684 0 O-C-N 124.276 0.985 . . . . 0.0 110.312 179.597 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.08 -37.85 88.82 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.15 -41.88 94.31 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.829 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.74 -45.04 96.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.127 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.04 -41.39 99.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.16 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.508 ' HH ' HH22 ' B' ' 13' ' ' ARG . 89.7 t80 -61.92 -40.89 97.06 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.368 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.6 -46.47 88.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.82 -41.05 99.14 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.108 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -63.19 -40.44 97.51 Favored 'General case' 0 C--O 1.223 -0.323 0 O-C-N 124.012 0.82 . . . . 0.0 110.119 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.09 84.19 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.274 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -44.93 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.818 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.508 HH22 ' HH ' ' B' ' 6' ' ' TYR . 11.6 ptt180 -70.46 -28.71 65.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.8 -47.72 74.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.942 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.66 6.94 1.45 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.982 0.913 . . . . 0.0 109.113 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.84 96.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.19 161.24 37.9 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.56 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 3.1 mtt -59.05 161.08 9.8 Favored Pre-proline 0 CA--C 1.547 0.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -47.96 111.13 0.39 Allowed 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 121.759 1.639 . . . . 0.0 112.343 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.52 -23.91 67.59 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.258 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.24 -21.73 62.2 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.91 -53.65 0.7 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.218 1.407 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -54.01 -49.59 68.53 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.378 1.085 . . . . 0.0 109.528 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -57.59 -41.96 82.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.724 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.9 -26.46 65.11 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.9 0.75 . . . . 0.0 112.274 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.12 -41.94 98.74 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.85 -39.75 92.95 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.25 -43.34 99.05 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.002 0.814 . . . . 0.0 109.237 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.27 -42.64 98.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.205 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -74.35 -59.54 2.68 Favored 'General case' 0 C--O 1.244 0.812 0 O-C-N 123.708 0.63 . . . . 0.0 112.532 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.22 -47.12 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.71 -41.02 97.06 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.44 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.63 -44.41 81.2 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.702 0.626 . . . . 0.0 109.378 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.924 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -66.49 -52.64 43.86 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.02 0.825 . . . . 0.0 110.877 178.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 34.5 mt -55.92 -44.46 78.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.41 0.624 . . . . 0.0 110.78 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.45 -42.97 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.126 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.62 -41.73 99.18 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.513 0.508 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.431 HD13 ' SG ' ' A' ' 41' ' ' CYS . 5.5 mm -63.16 -44.75 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 86.1 m -57.07 -47.98 79.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.86 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.74 -43.49 96.35 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.571 -1.195 . . . . 0.0 111.054 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.36 -48.41 73.05 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.91 -39.55 59.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.515 0.326 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.36 -43.42 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.34 -34.7 78.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.933 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.67 -42.64 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.24 -43.56 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.896 0.748 . . . . 0.0 109.339 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.75 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 123.634 0.584 . . . . 0.0 109.838 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.7 mmm -66.57 -37.1 84.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.154 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.69 -41.85 98.07 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 CA--C 1.542 0.637 0 O-C-N 124.311 1.007 . . . . 0.0 110.538 179.686 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.54 -37.79 88.66 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.77 -41.77 91.66 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.118 0.886 . . . . 0.0 109.657 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.88 -44.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 124.424 1.078 . . . . 0.0 108.705 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.49 -43.45 98.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.325 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.78 -40.41 95.09 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 124.2 0.937 . . . . 0.0 109.264 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -43.01 99.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.22 -46.29 89.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.91 -41.37 99.42 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.103 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.77 -40.49 96.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.425 0.69 . . . . 0.0 110.306 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.33 92.98 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.51 -42.38 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.708 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.431 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -60.44 -41.96 95.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.431 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -65.69 -44.01 87.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.053 179.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.11 72.34 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 123.952 0.783 . . . . 0.0 110.121 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -144.69 7.56 1.27 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.199 1.0 . . . . 0.0 108.953 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 96.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.734 0.814 . . . . 0.0 108.95 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -139.04 161.04 38.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.408 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.05 161.24 9.53 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -48.02 110.95 0.37 Allowed 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.875 1.717 . . . . 0.0 112.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -63.1 -23.55 67.49 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.527 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.92 -21.4 63.35 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.24 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.31 -54.51 0.69 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.288 1.435 . . . . 0.0 110.852 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -53.97 -49.95 67.63 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.742 0.782 . . . . 0.0 110.128 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.79 -41.73 78.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.302 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -69.38 -26.95 64.91 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.914 0.759 . . . . 0.0 112.565 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.77 -42.37 98.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.536 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.15 -40.05 92.4 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.4 -43.18 99.44 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.57 -42.28 98.63 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.252 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.24 -58.65 3.15 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.765 0.665 . . . . 0.0 112.185 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.75 -47.28 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -62.2 -40.62 96.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.308 0.504 . . . . 0.0 110.477 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -56.74 -44.9 82.16 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -52.75 45.05 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.893 0.746 . . . . 0.0 110.433 178.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.94 -45.9 74.89 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.896 0.855 . . . . 0.0 110.342 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.75 -42.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 113.72 -1.582 . . . . 0.0 108.855 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.29 -42.17 98.21 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.452 HD13 ' SG ' ' B' ' 41' ' ' CYS . 6.0 mm -63.29 -43.87 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 62.7 m -55.97 -49.09 74.54 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.739 0.649 . . . . 0.0 109.485 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.65 -40.62 95.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -72.47 -28.34 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.588 0.555 . . . . 0.0 111.694 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.61 -40.12 80.56 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.2 -42.3 95.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.6 -37.71 87.34 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.691 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mt -62.43 -42.97 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.5 mm -63.1 -43.96 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 123.813 0.696 . . . . 0.0 109.645 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.81 -45.99 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.842 0.714 . . . . 0.0 110.013 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mmm -66.38 -37.48 85.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.903 0.752 . . . . 0.0 110.199 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.42 -41.83 98.72 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.342 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.213 -0.859 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.39 179.569 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.74 -37.84 88.15 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.03 -41.91 94.85 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.723 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.11 -44.86 95.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 124.294 0.997 . . . . 0.0 108.997 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.98 -41.44 99.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 124.248 0.968 . . . . 0.0 108.948 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.94 -40.6 96.1 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.278 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -42.54 99.32 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -62.5 -46.04 90.27 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.127 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.93 -41.3 99.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.257 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.77 -40.51 96.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.957 0.786 . . . . 0.0 110.359 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.38 93.45 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.47 -42.5 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.798 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.25 -42.21 94.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.813 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -65.72 -43.95 87.52 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.024 0.828 . . . . 0.0 110.092 179.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.89 -50.0 72.62 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.901 0.751 . . . . 0.0 110.258 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 7.72 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.181 0.993 . . . . 0.0 108.897 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 37.2 mm -61.27 97.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -139.39 162.04 35.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.486 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 3.3 mtt -60.1 161.36 13.01 Favored Pre-proline 0 N--CA 1.477 0.922 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -48.54 111.18 0.42 Allowed 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 121.754 1.636 . . . . 0.0 112.355 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.86 -24.62 67.89 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.192 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.79 -21.88 61.41 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.311 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.11 -54.23 0.7 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.645 1.178 . . . . 0.0 111.12 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -53.72 -50.22 66.41 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.246 1.022 . . . . 0.0 109.815 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -56.66 -42.0 78.19 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 113.134 -1.848 . . . . 0.0 109.388 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.87 -27.1 64.54 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.971 0.794 . . . . 0.0 112.559 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.61 -41.97 98.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.384 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.7 -40.4 94.88 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.11 -42.37 99.16 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.04 0.838 . . . . 0.0 109.274 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.82 -42.1 98.6 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.84 -59.15 2.88 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.706 0.629 . . . . 0.0 112.513 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.13 -47.23 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -62.13 -40.4 95.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.111 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.15 -44.41 87.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -64.59 -57.58 8.72 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 124.144 0.902 . . . . 0.0 109.598 178.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' D' ' 40' ' ' ILE . 13.8 mt -46.46 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 75.0 mt -33.94 -45.18 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.566 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -63.4 -43.53 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.487 HD13 ' SG ' ' C' ' 41' ' ' CYS . 6.5 mm -60.37 -43.67 94.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 29.8 m -57.28 -48.49 78.77 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.35 -38.41 90.02 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.862 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.71 -29.06 62.05 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 123.525 0.516 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.02 -40.82 82.85 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.83 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.98 -38.61 91.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.8 mt -62.74 -42.56 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.11 -45.03 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.61 -45.48 95.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 123.836 0.71 . . . . 0.0 110.395 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.98 -37.13 85.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.1 -41.91 99.48 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.882 0.739 . . . . 0.0 109.036 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.216 -0.692 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.348 179.463 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.23 -38.08 85.35 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.38 -41.5 93.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.437 1.086 . . . . 0.0 109.727 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.92 -41.35 99.43 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.168 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -40.41 95.79 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 124.007 0.817 . . . . 0.0 109.145 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -42.72 99.53 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.79 -41.3 99.21 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.171 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -64.06 -40.22 95.79 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.878 0.736 . . . . 0.0 110.26 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.39 92.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.15 -42.78 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.877 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.15 -42.06 94.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.741 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -65.95 -43.8 86.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.067 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.06 72.6 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 123.966 0.791 . . . . 0.0 110.145 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -144.73 7.38 1.25 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.162 0.985 . . . . 0.0 108.913 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.93 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.658 0.783 . . . . 0.0 108.925 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -138.99 160.89 38.69 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.615 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 3.1 mtt -59.08 161.01 10.07 Favored Pre-proline 0 N--CA 1.478 0.956 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -47.91 111.07 0.38 Allowed 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.67 1.58 . . . . 0.0 112.48 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -63.2 -24.2 67.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.146 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.39 -21.61 62.38 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.32 1.013 . . . . 0.0 110.109 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.25 -54.44 0.69 Allowed 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.726 1.21 . . . . 0.0 111.244 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -53.57 -50.24 65.99 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 122.038 0.923 . . . . 0.0 110.09 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -58.15 -41.13 83.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.717 -2.038 . . . . 0.0 108.788 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.38 -26.34 64.61 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.36 -42.84 99.36 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.19 -40.2 93.04 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.8 -43.19 99.35 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.48 -42.32 98.61 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.25 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -74.78 -59.13 2.87 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.679 0.612 . . . . 0.0 112.44 -178.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.1 -47.53 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -40.96 95.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.119 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.04 -44.25 87.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.672 0.608 . . . . 0.0 109.489 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -64.23 -58.51 6.37 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.387 1.054 . . . . 0.0 109.499 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' E' ' 40' ' ' ILE . 15.8 mt -46.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -35.41 -44.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 O-C-N 125.164 1.54 . . . . 0.0 110.606 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 118.131 0.423 . . . . 0.0 110.531 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.512 HD13 ' SG ' ' D' ' 41' ' ' CYS . 6.0 mm -60.29 -44.32 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.802 0.689 . . . . 0.0 109.275 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.7 m -56.86 -47.14 81.11 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.961 0.788 . . . . 0.0 109.439 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.84 -41.49 95.67 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.467 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.66 -26.14 60.6 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.36 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.46 -39.87 81.28 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.23 -42.18 94.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.3 -36.45 83.72 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.715 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.04 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.95 -44.19 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.807 0.692 . . . . 0.0 109.775 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.72 -46.46 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 123.641 0.588 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.37 -36.53 81.55 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.36 -41.68 98.84 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.894 0.746 . . . . 0.0 109.135 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.44 179.503 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.61 -32.63 67.42 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.512 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.61 -42.36 95.58 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.523 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.18 -43.52 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.818 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.79 -38.9 87.42 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.6 -39.85 85.56 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.983 0.802 . . . . 0.0 109.731 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.88 -43.24 99.32 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -63.63 -46.23 86.63 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.228 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -63.1 -38.21 90.29 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.286 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.406 ' HG ' ' NH2' ' A' ' 13' ' ' ARG . 44.5 t -62.53 -42.82 99.77 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 123.997 0.811 . . . . 0.0 109.55 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.81 93.15 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.808 0.693 . . . . 0.0 110.217 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.813 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HE ' HH22 ' A' ' 14' ' ' ARG . 48.3 ttp180 -60.94 -36.97 80.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.065 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.521 HH22 ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -62.84 -36.81 84.46 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.783 178.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.68 -34.59 67.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.851 0.719 . . . . 0.0 109.666 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -62.87 -51.62 66.29 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 124.157 0.911 . . . . 0.0 110.447 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.1 mt -138.37 134.59 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -49.73 119.25 3.34 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.048 0.217 . . . . 0.0 110.655 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.53 -70.82 0.06 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -70.15 139.08 38.04 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 C-N-CA 121.713 1.608 . . . . 0.0 110.725 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' NE2' ' N ' ' B' ' 26' ' ' GLN . 26.4 mt-30 -81.85 -80.39 0.16 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.793 0.683 . . . . 0.0 111.656 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -122.9 -48.16 2.02 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 124.824 1.328 . . . . 0.0 110.19 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.49 -74.63 0.36 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.785 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -132.43 -1.01 3.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.253 1.021 . . . . 0.0 109.136 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' N ' ' NE2' ' E' ' 22' ' ' GLN . 88.8 mt-30 -44.21 -49.05 9.35 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.158 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -59.45 -42.44 91.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.547 0.339 . . . . 0.0 111.759 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.58 -50.76 71.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 123.777 0.673 . . . . 0.0 110.123 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.66 89.78 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.196 0.31 . . . . 0.0 111.014 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -55.62 -46.45 77.37 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.87 -45.73 88.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.761 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -63.12 -50.19 71.45 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.051 0.844 . . . . 0.0 112.365 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 33' ' ' ILE . 63.1 mt -64.55 -44.61 96.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 123.442 0.464 . . . . 0.0 110.28 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -58.86 -45.89 89.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.83 -44.76 93.89 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.808 0.692 . . . . 0.0 110.382 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.89 -41.13 91.93 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.27 -45.97 82.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.809 0.693 . . . . 0.0 109.234 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.6 mt -57.27 -41.33 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 112.905 -1.952 . . . . 0.0 107.588 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.84 -42.1 99.61 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 123.895 0.747 . . . . 0.0 109.801 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' SG ' ' E' ' 41' ' ' CYS . 32.9 mm -62.73 -43.97 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 60.8 m -55.24 -49.44 72.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.596 0.56 . . . . 0.0 109.713 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.56 -39.59 88.6 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.974 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.6 tp -74.35 -29.99 61.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.07 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.29 -40.3 97.0 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.42 -44.92 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.682 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.03 -32.96 74.7 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.553 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.04 -42.15 93.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 O-C-N 123.673 0.608 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.16 -41.98 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.882 0.739 . . . . 0.0 109.787 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.87 -46.09 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 123.79 0.681 . . . . 0.0 109.5 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.8 mmm -65.87 -39.92 91.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.852 0.72 . . . . 0.0 110.432 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.06 -42.41 99.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.795 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.64 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.3 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.54 -32.68 67.33 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.68 -42.01 95.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.564 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.18 -43.56 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.146 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -66.68 -38.83 87.6 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.69 -40.11 86.77 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.009 0.818 . . . . 0.0 109.495 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.78 -43.26 99.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.928 0.767 . . . . 0.0 108.958 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.9 m -63.87 -46.0 86.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.242 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -63.24 -38.52 91.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.286 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -62.58 -42.79 99.77 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.981 0.801 . . . . 0.0 109.451 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.85 94.32 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.493 0.496 . . . . 0.0 110.158 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.93 -43.74 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.803 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.525 ' HE ' HH22 ' B' ' 14' ' ' ARG . 48.2 ttp180 -60.74 -36.95 80.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.073 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.525 HH22 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -62.77 -36.92 84.64 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.694 178.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.03 68.19 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.83 0.706 . . . . 0.0 109.517 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -63.05 -51.76 65.44 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.748 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 94.8 mt -138.13 134.5 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -49.34 119.39 3.31 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.104 0.252 . . . . 0.0 110.723 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 mmt -92.68 -71.13 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.11 138.07 38.96 Favored 'Trans proline' 0 N--CA 1.508 2.331 0 C-N-CA 121.844 1.696 . . . . 0.0 110.681 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' C' ' 26' ' ' GLN . 26.3 mt-30 -81.85 -79.23 0.18 Allowed 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.349 0.406 . . . . 0.0 112.023 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -122.85 -50.77 1.94 Allowed 'General case' 0 C--N 1.348 0.508 0 C-N-CA 124.35 1.06 . . . . 0.0 109.743 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.75 -71.34 0.39 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.72 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -134.35 -1.13 2.9 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.013 -0.994 . . . . 0.0 108.847 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.434 ' N ' ' NE2' ' A' ' 22' ' ' GLN . 88.4 mt-30 -44.48 -48.49 10.06 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.085 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -58.65 -43.0 89.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.9 -50.64 71.38 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 123.643 0.589 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -40.26 91.09 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.481 0.488 . . . . 0.0 110.923 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -55.72 -46.42 77.75 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.02 -45.55 88.44 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.619 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -62.98 -50.2 71.71 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.42 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.427 HD13 HG22 ' B' ' 33' ' ' ILE . 61.1 mt -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 O-C-N 123.624 0.577 . . . . 0.0 110.131 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -59.54 -44.81 93.11 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -59.6 -43.99 93.53 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.877 0.736 . . . . 0.0 110.261 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -64.0 -52.99 56.96 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.514 0.509 . . . . 0.0 110.623 179.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.62 -44.07 80.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.63 -41.37 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 125.42 1.7 . . . . 0.0 108.07 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.16 -41.34 99.23 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 109.79 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.461 HD13 ' SG ' ' A' ' 41' ' ' CYS . 37.9 mm -62.75 -45.1 99.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.124 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 70.2 m -55.58 -48.87 74.12 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.511 0.507 . . . . 0.0 109.675 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.6 -39.35 88.34 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.74 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 tp -74.23 -30.21 62.06 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.812 0.445 . . . . 0.0 111.956 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.61 -39.71 95.07 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.7 -44.5 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.05 -32.71 74.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.73 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 19.5 mt -62.23 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.0 -42.14 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.955 0.784 . . . . 0.0 109.927 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.87 -45.98 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.85 -40.0 91.31 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.784 0.678 . . . . 0.0 110.163 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.26 -42.48 99.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.588 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.658 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.142 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.1 -32.28 67.94 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.57 -42.29 95.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.683 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 88.3 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 124.402 1.063 . . . . 0.0 108.942 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.63 -39.06 88.11 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.47 -40.14 85.98 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 123.68 0.613 . . . . 0.0 109.666 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.68 -43.26 99.26 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.85 -45.91 87.37 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.517 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -63.22 -38.27 90.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.284 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.41 ' HG ' ' NH2' ' C' ' 13' ' ' ARG . 44.4 t -62.69 -42.62 99.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.925 0.765 . . . . 0.0 109.573 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.14 -42.78 93.52 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.623 0.577 . . . . 0.0 110.101 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.98 -43.85 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.535 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.49 -37.04 79.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.058 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.535 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER -62.84 -36.79 84.37 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.782 178.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -34.73 68.45 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.904 0.753 . . . . 0.0 109.621 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -63.05 -51.67 65.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.629 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.4 mt -138.22 134.72 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -49.37 118.82 2.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 122.984 0.178 . . . . 0.0 110.697 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.16 -70.66 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.14 139.15 38.25 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 C-N-CA 121.827 1.684 . . . . 0.0 110.842 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . 0.43 ' NE2' ' N ' ' D' ' 26' ' ' GLN . 28.6 mt-30 -82.67 -82.69 0.14 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.799 0.687 . . . . 0.0 111.761 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -119.17 -49.72 2.38 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.477 1.111 . . . . 0.0 109.575 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.31 -73.92 0.38 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 124.048 0.842 . . . . 0.0 109.702 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -131.99 -0.38 3.78 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.562 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.418 ' N ' ' NE2' ' B' ' 22' ' ' GLN . 88.4 mt-30 -44.94 -48.8 11.34 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 124.363 1.065 . . . . 0.0 111.242 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -59.38 -42.5 91.79 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 119.463 -0.303 . . . . 0.0 111.636 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.59 -50.97 70.47 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.882 0.739 . . . . 0.0 110.243 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -40.0 91.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.135 0.272 . . . . 0.0 111.145 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -55.7 -46.19 77.7 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.37 -45.41 87.84 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.633 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -63.3 -49.86 72.35 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.671 0.607 . . . . 0.0 112.456 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.413 HD13 HG23 ' C' ' 33' ' ' ILE . 65.5 mt -64.8 -44.58 96.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.279 0.362 . . . . 0.0 110.198 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -59.1 -45.52 90.67 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -59.15 -44.34 92.09 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.377 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -63.75 -53.26 53.79 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.189 0.93 . . . . 0.0 110.324 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.5 -46.42 76.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.63 -42.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 125.396 1.685 . . . . 0.0 108.589 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.6 -41.06 98.36 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.419 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.429 HD13 ' SG ' ' B' ' 41' ' ' CYS . 38.1 mm -62.21 -43.76 98.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 66.0 m -56.46 -48.14 77.7 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.45 -39.2 88.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.373 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.37 -30.92 62.18 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 123.118 0.567 . . . . 0.0 112.105 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.88 -40.24 96.9 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.9 -44.63 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.804 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.4 m -64.09 -33.03 74.84 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.5 mt -61.88 -42.31 94.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -63.21 -41.8 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 123.865 0.728 . . . . 0.0 109.757 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.9 -45.99 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 94.0 mmm -66.06 -39.65 90.26 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.878 0.736 . . . . 0.0 110.389 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.1 -42.62 99.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.712 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.617 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.345 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.43 -32.74 67.2 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.6 -42.18 95.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.65 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.27 -43.68 97.24 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.927 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -38.77 86.85 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.58 -40.51 87.63 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.835 0.709 . . . . 0.0 109.667 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.23 -43.79 98.04 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.56 -45.79 88.9 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.36 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -62.66 -39.24 93.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.143 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.4 m -63.2 -41.6 99.18 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.929 0.768 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.06 96.24 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.616 0.572 . . . . 0.0 109.898 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.95 -43.62 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.715 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.409 ' HE ' HH22 ' D' ' 14' ' ' ARG . 49.8 ttp180 -60.7 -37.32 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.09 177.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.409 HH22 ' HE ' ' D' ' 13' ' ' ARG . 0.5 OUTLIER -62.72 -37.18 85.51 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.69 179.032 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.04 66.79 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.833 0.708 . . . . 0.0 109.594 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -62.52 -51.93 65.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.511 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 94.8 mt -138.58 133.55 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -48.79 121.26 4.47 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.201 0.313 . . . . 0.0 110.541 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 21.9 mmt -93.32 -70.43 0.06 OUTLIER Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -70.93 139.01 35.26 Favored 'Trans proline' 0 N--CA 1.51 2.443 0 C-N-CA 121.891 1.728 . . . . 0.0 110.794 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . 0.489 HE22 ' ND2' ' D' ' 30' ' ' ASN . 9.1 mt-30 -79.78 -80.28 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.34 0.4 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -122.61 -51.42 1.94 Allowed 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.176 0.922 . . . . 0.0 109.862 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.7 -73.53 0.45 Allowed 'General case' 0 C--N 1.347 0.493 0 O-C-N 124.331 1.019 . . . . 0.0 109.194 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -133.3 -1.85 3.17 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 124.109 0.88 . . . . 0.0 108.897 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.43 ' N ' ' NE2' ' C' ' 22' ' ' GLN . 95.5 mt-30 -44.11 -49.34 8.97 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.087 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -58.68 -42.29 88.18 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -50.89 70.74 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 123.462 0.476 . . . . 0.0 110.128 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -39.4 91.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 122.345 0.258 . . . . 0.0 110.699 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . 0.489 ' ND2' HE22 ' D' ' 22' ' ' GLN . 5.3 m-20 -56.93 -45.57 82.64 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 123.938 0.774 . . . . 0.0 109.077 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.32 -45.08 89.49 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.18 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -62.84 -50.2 71.88 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.767 0.667 . . . . 0.0 112.258 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.412 HD13 HG22 ' D' ' 33' ' ' ILE . 64.4 mt -64.23 -44.84 97.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 123.7 0.625 . . . . 0.0 110.25 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -59.52 -45.17 92.53 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.11 -44.45 91.99 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.959 0.787 . . . . 0.0 110.006 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -63.92 -53.22 53.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.895 0.747 . . . . 0.0 110.78 179.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.44 -44.71 80.74 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.09 -42.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.152 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.87 -41.96 99.59 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.434 HD13 ' SG ' ' C' ' 41' ' ' CYS . 36.2 mm -62.87 -43.47 98.91 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 65.1 m -55.89 -48.78 75.01 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.86 -39.17 87.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.954 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.9 -30.37 61.27 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.921 0.489 . . . . 0.0 112.011 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.94 -40.23 97.0 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -65.97 -44.74 92.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.631 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.93 -32.57 74.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.724 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mt -62.23 -42.24 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 26.0 mm -63.02 -42.17 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.835 0.71 . . . . 0.0 109.977 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.9 -45.83 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.8 -40.18 91.64 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.787 0.68 . . . . 0.0 110.185 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -63.04 -42.54 99.77 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.766 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.164 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.74 -32.65 67.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.303 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.4 -42.16 96.25 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.413 1.071 . . . . 0.0 109.642 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.31 -43.69 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 124.149 0.906 . . . . 0.0 109.032 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -67.07 -38.74 86.31 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.48 -40.55 87.3 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.946 0.779 . . . . 0.0 109.689 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.28 -43.69 98.24 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -63.59 -45.62 89.54 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.349 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -63.04 -39.18 93.96 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.273 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -63.55 -41.18 98.45 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.998 0.812 . . . . 0.0 109.767 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.07 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.538 0.524 . . . . 0.0 109.807 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.13 -43.75 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 115.234 -0.893 . . . . 0.0 108.632 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.423 ' HE ' HH22 ' E' ' 14' ' ' ARG . 49.7 ttp180 -60.34 -37.3 80.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.169 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.423 HH22 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER -62.79 -37.0 84.95 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.627 178.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.592 0.558 . . . . 0.0 109.591 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -62.76 -51.65 66.31 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.671 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 94.4 mt -138.71 134.63 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -49.17 119.64 3.42 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.112 0.258 . . . . 0.0 110.793 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 22.4 mmt -92.87 -70.23 0.07 OUTLIER Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.43 138.55 35.93 Favored 'Trans proline' 0 N--CA 1.511 2.531 0 C-N-CA 121.894 1.73 . . . . 0.0 110.621 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . 0.414 ' NE2' ' N ' ' A' ' 26' ' ' GLN . 27.1 mt-30 -81.42 -81.09 0.14 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.742 0.651 . . . . 0.0 111.744 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -119.83 -51.17 2.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.792 0.837 . . . . 0.0 109.989 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.42 -71.9 0.41 Allowed 'General case' 0 C--N 1.344 0.359 0 O-C-N 124.003 0.815 . . . . 0.0 109.611 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.411 ' HB2' HE21 ' D' ' 22' ' ' GLN . 57.6 mtp85 -134.1 -2.31 2.88 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -41.24 -49.0 3.62 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 124.456 1.102 . . . . 0.0 111.041 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -59.37 -42.9 92.69 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.693 0.621 . . . . 0.0 111.982 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.84 -49.34 77.89 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.598 0.561 . . . . 0.0 109.988 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -40.65 89.31 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 122.334 0.253 . . . . 0.0 111.191 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.54 -46.74 73.64 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.95 -45.7 88.0 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.615 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -62.93 -50.37 71.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.31 -44.74 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 123.475 0.485 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -59.53 -45.1 92.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.55 -44.01 93.37 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.945 0.778 . . . . 0.0 110.366 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.926 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.15 -52.86 57.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.588 0.555 . . . . 0.0 110.519 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.25 -45.79 79.9 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.279 0.561 . . . . 0.0 109.927 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.85 -42.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.146 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.91 -41.59 97.64 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 119.11 -0.471 . . . . 0.0 109.979 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.465 HD13 ' SG ' ' D' ' 41' ' ' CYS . 33.6 mm -62.03 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.58 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 63.7 m -54.45 -49.02 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.128 0.893 . . . . 0.0 109.774 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.68 -39.3 88.06 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.986 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 tp -74.93 -30.08 61.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.861 0.464 . . . . 0.0 111.846 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.35 -40.11 96.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.74 -44.64 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.651 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 95.3 m -63.94 -32.77 74.42 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.716 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mt -61.86 -42.1 93.28 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.21 -41.88 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 123.789 0.681 . . . . 0.0 109.854 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.87 -46.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 123.731 0.644 . . . . 0.0 109.302 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 94.4 mmm -66.05 -39.77 90.39 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.46 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.3 -42.16 99.03 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.828 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.543 0.687 0 O-C-N 124.216 0.947 . . . . 0.0 110.176 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -53.76 -39.38 65.3 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.977 0.511 . . . . 0.0 110.422 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -62.15 -41.35 98.19 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.44 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -60.97 -43.42 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.4 1.063 . . . . 0.0 109.44 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -55.16 -49.4 71.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.062 0.851 . . . . 0.0 109.415 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.89 -40.91 95.84 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.051 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.2 -42.65 95.54 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.724 0.64 . . . . 0.0 110.14 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -62.06 -45.77 92.08 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.12 -44.7 96.07 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.981 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 m -64.55 -40.12 95.01 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.861 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.25 94.57 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.862 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.21 -43.08 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.951 0.782 . . . . 0.0 109.048 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.409 HH21 ' NH2' ' A' ' 14' ' ' ARG . 52.2 ttp180 -60.56 -22.14 63.34 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.628 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -97.69 -39.51 9.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.846 0.716 . . . . 0.0 110.241 179.217 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 103.36 0.67 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.979 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.85 -46.81 83.36 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -23.88 22.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.119 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.76 150.35 47.57 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.3 mtp -29.16 129.88 0.22 Allowed Pre-proline 0 N--CA 1.484 1.259 0 C-N-CA 125.278 1.431 . . . . 0.0 114.753 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.13 -12.49 19.66 Favored 'Trans proline' 0 N--CA 1.514 2.727 0 C-N-CA 122.921 2.414 . . . . 0.0 111.804 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -56.69 -24.4 48.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.579 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.83 80.97 7.7 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -64.21 162.35 14.74 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.635 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -61.68 -31.31 71.43 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.071 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.22 -54.16 8.3 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.24 -31.24 61.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.144 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -33.43 75.8 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.688 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -53.49 -50.26 65.76 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.606 0.567 . . . . 0.0 109.534 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.25 -43.73 98.15 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.854 1.346 . . . . 0.0 110.905 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.29 -52.59 63.1 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.006 0.816 . . . . 0.0 111.545 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -67.89 -44.38 85.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 124.107 0.88 . . . . 0.0 111.087 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.69 -42.92 98.13 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -58.45 -43.98 89.01 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -64.14 -50.56 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.136 0.272 . . . . 0.0 110.315 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.06 -46.29 85.64 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.525 0.678 . . . . 0.0 110.498 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.13 -42.44 90.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.331 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.47 -43.88 97.75 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.6 -42.85 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 78.0 m -58.95 -47.49 84.9 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 123.925 0.765 . . . . 0.0 109.534 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.4 -40.12 96.34 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.621 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.2 -50.56 65.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.428 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.94 -41.04 61.73 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 119.059 0.845 . . . . 0.0 109.294 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.65 -43.75 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.89 -39.7 93.94 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.433 0.458 . . . . 0.0 110.261 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.27 -44.37 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mt -65.43 -42.18 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.276 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.98 -46.45 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.67 0.606 . . . . 0.0 109.598 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.63 -50.25 67.87 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.2 -39.53 56.71 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 124.166 0.916 . . . . 0.0 110.435 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.543 0.681 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.601 178.621 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -38.94 64.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.931 0.492 . . . . 0.0 110.481 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -62.58 -41.08 98.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.326 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.31 -43.16 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -55.16 -49.35 72.07 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.257 0.973 . . . . 0.0 109.472 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.63 -41.07 93.09 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.204 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.49 -42.1 95.64 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.694 0.621 . . . . 0.0 110.185 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.3 -46.03 90.59 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.805 0.691 . . . . 0.0 109.348 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.07 -44.83 95.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.895 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -64.3 -39.96 94.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.951 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.06 95.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.014 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.37 -43.21 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.945 0.778 . . . . 0.0 109.085 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.401 HH21 ' NH2' ' B' ' 14' ' ' ARG . 52.3 ttp180 -60.4 -22.17 63.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.657 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.401 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER -97.56 -39.59 9.05 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 0.0 110.265 179.142 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 103.49 0.71 Allowed 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.021 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.99 -46.92 82.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -23.96 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.082 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.73 150.45 47.3 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.454 0.471 . . . . 0.0 110.195 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtp -28.77 129.32 0.22 Allowed Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.365 1.466 . . . . 0.0 114.873 -177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.95 -12.56 19.26 Favored 'Trans proline' 0 N--CA 1.516 2.796 0 C-N-CA 122.984 2.456 . . . . 0.0 111.698 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -56.82 -24.67 52.59 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.364 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.56 -42.36 87.72 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.88 81.14 7.62 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -64.14 163.02 13.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.738 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.42 -30.68 71.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -75.15 -54.11 7.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -55.45 -30.16 60.02 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.298 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.99 77.11 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.194 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -53.79 -50.33 66.31 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp -61.97 -43.87 97.92 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.62 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -62.68 -52.2 64.25 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.829 0.705 . . . . 0.0 111.563 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.416 HD12 HG21 ' B' ' 33' ' ' ILE . 64.0 mt -67.63 -45.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.536 0.523 . . . . 0.0 111.042 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.5 -43.14 97.34 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.75 -43.71 90.34 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.94 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.17 -50.33 68.56 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 123.844 0.715 . . . . 0.0 110.475 178.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.23 -46.5 88.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.31 -44.1 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.408 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.23 -42.87 99.29 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.677 0.611 . . . . 0.0 109.714 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.0 -44.5 99.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.3 m -58.4 -47.92 82.33 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.94 -39.12 93.66 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.368 1.042 . . . . 0.0 109.744 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.27 -28.14 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.915 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.95 -41.49 86.83 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.89 -42.9 98.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.899 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.8 m -63.17 -41.71 99.26 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.46 -43.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 mt -64.75 -43.06 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 124.308 1.005 . . . . 0.0 110.838 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.59 -45.07 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -72.85 -26.83 61.61 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.858 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.35 -40.26 74.19 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.169 179.784 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -53.56 -39.03 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.247 0.546 . . . . 0.0 110.471 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.44 -41.33 98.65 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.528 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.94 -43.7 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.838 0.711 . . . . 0.0 109.211 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -54.37 -49.34 70.05 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.255 0.972 . . . . 0.0 109.403 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.16 -41.11 90.82 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.19 -42.36 94.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.58 0.55 . . . . 0.0 110.212 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -62.1 -45.9 91.43 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.998 0.811 . . . . 0.0 109.292 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.28 -44.34 96.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.892 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -64.39 -39.95 94.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.845 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.9 95.53 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.859 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.37 -43.29 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 124.092 0.87 . . . . 0.0 108.831 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.408 HH21 ' NH2' ' C' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -22.05 63.28 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.643 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.408 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -97.75 -39.42 9.06 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.899 0.749 . . . . 0.0 110.224 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.92 103.63 0.75 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.921 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 19.8 m -63.95 -46.82 82.99 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -23.76 22.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.055 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.07 150.59 47.84 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.214 0.321 . . . . 0.0 110.247 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 75.7 mtp -28.75 129.28 0.22 Allowed Pre-proline 0 N--CA 1.483 1.19 0 O-C-N 125.143 1.527 . . . . 0.0 114.673 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.06 -12.35 18.88 Favored 'Trans proline' 0 N--CA 1.515 2.771 0 C-N-CA 122.907 2.405 . . . . 0.0 111.789 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -57.01 -24.07 50.9 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.716 0.807 . . . . 0.0 110.43 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -59.02 -42.78 90.99 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 80.65 7.96 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -63.76 163.07 12.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.922 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.41 -31.0 71.62 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.917 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.405 HD22 ' C ' ' D' ' 21' ' ' PRO . 5.6 t30 -75.0 -53.44 8.92 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.02 -30.49 61.93 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.252 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -33.45 75.9 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.18 177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -54.06 -50.53 66.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.83 -43.79 98.14 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.844 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -62.53 -52.56 62.96 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 111.63 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.421 HD12 HG23 ' C' ' 33' ' ' ILE . 63.9 mt -67.69 -44.82 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.209 -0.424 . . . . 0.0 110.877 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.62 -42.73 97.45 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.317 0.386 . . . . 0.0 110.03 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -58.33 -43.71 88.37 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.941 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.15 -51.7 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.762 0.663 . . . . 0.0 110.042 179.007 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.35 -45.71 84.08 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.398 0.618 . . . . 0.0 110.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.69 -42.9 93.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.971 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.52 -43.29 97.58 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.71 -44.49 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.9 0.75 . . . . 0.0 109.278 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 76.1 m -59.07 -46.53 88.02 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 123.715 0.634 . . . . 0.0 110.029 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -38.58 91.58 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.762 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.49 -28.95 62.2 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.868 0.73 . . . . 0.0 112.172 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.23 -41.73 89.65 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.32 -43.13 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.661 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.4 -41.54 98.76 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.676 0.61 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.45 -43.94 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mt -65.17 -42.88 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 124.144 0.902 . . . . 0.0 110.947 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.67 -45.07 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -72.57 -27.91 62.49 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.73 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -69.45 -40.39 77.22 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.542 0.648 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.21 179.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -53.17 -39.2 63.43 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.978 0.511 . . . . 0.0 110.559 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.37 -41.44 98.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.68 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.04 -44.18 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 124.131 0.894 . . . . 0.0 109.397 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -53.78 -49.31 68.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.164 0.915 . . . . 0.0 109.45 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.87 -40.82 92.01 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.062 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.26 -42.42 95.32 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.55 0.531 . . . . 0.0 110.175 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.87 -45.99 91.36 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -62.11 -44.7 96.06 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.822 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -64.43 -40.2 95.29 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.758 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.07 95.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.731 0.644 . . . . 0.0 109.948 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.45 -43.23 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.167 0.917 . . . . 0.0 108.86 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.404 HH21 ' NH2' ' D' ' 14' ' ' ARG . 52.3 ttp180 -60.34 -22.14 62.91 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.674 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.404 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER -97.72 -39.3 9.13 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.89 0.744 . . . . 0.0 110.323 179.074 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 103.54 0.73 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.948 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -63.97 -46.92 82.48 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -23.98 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.082 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.81 150.23 47.94 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.361 0.413 . . . . 0.0 109.904 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 76.0 mtp -28.73 129.4 0.22 Allowed Pre-proline 0 N--CA 1.482 1.157 0 C-N-CA 125.326 1.451 . . . . 0.0 114.875 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . 0.405 ' C ' HD22 ' C' ' 27' ' ' ASN . 34.3 Cg_exo -59.83 -12.73 19.41 Favored 'Trans proline' 0 N--CA 1.515 2.791 0 C-N-CA 122.82 2.347 . . . . 0.0 111.745 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -56.73 -24.21 47.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.663 0.785 . . . . 0.0 110.327 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.96 -42.49 90.04 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.2 80.47 8.27 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -64.64 161.42 17.73 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.885 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -60.56 -31.59 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.503 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -74.64 -52.96 10.27 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.65 -30.89 63.83 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.223 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.461 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -54.17 -50.69 66.44 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.96 -43.75 98.19 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 124.798 1.311 . . . . 0.0 110.887 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.79 -52.55 62.76 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 123.937 0.773 . . . . 0.0 111.653 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.411 HD12 HG22 ' D' ' 33' ' ' ILE . 64.9 mt -67.54 -45.01 86.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.954 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.7 -42.93 98.16 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -58.22 -43.76 87.86 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.159 0.912 . . . . 0.0 109.382 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.74 -52.08 62.05 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.227 0.329 . . . . 0.0 110.15 178.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . 0.431 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 14.8 mt -58.7 -45.04 90.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.8 -44.16 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 CA-C-N 113.515 -1.675 . . . . 0.0 108.49 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 123.887 0.742 . . . . 0.0 110.361 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.68 -43.99 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.2 m -57.86 -46.77 84.33 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 123.92 0.762 . . . . 0.0 109.943 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.37 -38.11 89.86 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.399 1.062 . . . . 0.0 109.458 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.62 -29.11 61.16 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.003 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.95 -41.4 91.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.38 -43.24 97.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 108.792 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.65 -41.59 98.2 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.749 0.656 . . . . 0.0 109.656 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.37 -43.86 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.13 -43.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.823 0.849 . . . . 0.0 110.835 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.5 -45.18 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 97.2 mmm -72.03 -29.0 63.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 tp -68.66 -40.38 80.22 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.213 -0.816 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.172 179.709 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.56 -39.0 64.42 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.854 0.461 . . . . 0.0 110.587 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.6 -41.0 98.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.501 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.18 -43.15 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 124.019 0.824 . . . . 0.0 109.332 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -55.24 -49.29 72.4 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.187 0.93 . . . . 0.0 109.314 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.65 -41.24 92.82 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.101 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.36 -42.42 95.71 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.638 0.586 . . . . 0.0 110.124 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.27 -45.89 91.24 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.23 -44.6 96.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.843 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 57.4 m -64.39 -40.08 95.11 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.688 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.98 95.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.877 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.35 -43.18 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.98 0.8 . . . . 0.0 108.915 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.404 HH21 ' NH2' ' E' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -21.92 63.16 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.655 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.404 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER -97.82 -39.41 9.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.837 0.711 . . . . 0.0 110.211 179.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 103.48 0.75 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.043 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.85 -47.04 82.34 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -23.87 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.194 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.97 150.35 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.324 0.39 . . . . 0.0 110.097 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 76.0 mtp -28.71 129.73 0.22 Allowed Pre-proline 0 N--CA 1.481 1.111 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.42 -11.97 18.72 Favored 'Trans proline' 0 N--CA 1.516 2.832 0 C-N-CA 122.805 2.336 . . . . 0.0 111.911 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -57.44 -24.27 54.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.741 0.816 . . . . 0.0 110.403 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.72 -42.41 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.49 80.24 8.13 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -63.79 161.83 14.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.821 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.33 -31.8 71.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -73.89 -52.71 12.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -30.71 63.95 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.265 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.82 73.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.392 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -54.1 -50.61 66.46 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp -61.61 -43.93 97.95 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.679 1.237 . . . . 0.0 110.653 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.32 -52.41 63.77 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.202 0.939 . . . . 0.0 111.819 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 66.2 mt -67.95 -44.51 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.29 -43.07 96.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -60.04 -43.6 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 124.157 0.91 . . . . 0.0 109.124 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -62.04 -53.89 49.16 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.777 0.673 . . . . 0.0 109.831 178.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' E' ' 40' ' ' ILE . 7.5 mt -52.45 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.372 1.574 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -31.19 -47.06 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 O-C-N 124.617 1.198 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.84 -45.86 90.63 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 117.478 0.126 . . . . 0.0 111.192 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' E' ' 37' ' ' LEU . 11.1 mm -61.98 -44.05 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 60.3 m -58.17 -46.64 85.39 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.833 0.708 . . . . 0.0 109.92 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.01 -37.43 87.38 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.755 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.89 -29.07 61.87 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.102 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.01 -41.29 91.21 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.72 -42.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.731 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.7 m -63.59 -41.37 98.35 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.497 0.498 . . . . 0.0 109.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt -62.35 -43.95 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mt -65.44 -42.88 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 124.154 0.909 . . . . 0.0 111.049 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.33 -45.19 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 97.6 mmm -72.26 -28.43 63.12 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.695 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 tp -69.23 -40.8 77.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 CA--C 1.543 0.697 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.264 179.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mtt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.86 -36.89 77.83 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.65 -40.98 96.4 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.626 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.89 -44.64 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.65 -42.12 99.43 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.012 0.82 . . . . 0.0 109.093 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.42 -39.99 95.09 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.119 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.62 99.21 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.895 0.747 . . . . 0.0 109.074 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.57 -46.46 88.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.83 -41.27 99.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.034 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -65.18 -38.24 89.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.157 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.86 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.535 0.522 . . . . 0.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.8 mt -65.17 -43.11 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -60.49 -41.58 94.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.611 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -46.8 80.81 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.648 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.9 61.45 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.927 0.767 . . . . 0.0 110.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -66.43 -36.26 82.35 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.041 0.213 . . . . 0.0 110.456 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.96 -177.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 123.937 0.773 . . . . 0.0 109.19 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 40.22 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.545 1.138 . . . . 0.0 113.2 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -134.24 -65.89 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.39 -23.38 32.54 Favored 'Trans proline' 0 N--CA 1.506 2.261 0 C-N-CA 121.743 1.629 . . . . 0.0 109.955 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.02 -12.46 60.63 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.374 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.66 83.47 0.62 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' H ' HD21 ' A' ' 27' ' ' ASN . . . -76.55 178.12 6.91 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.406 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.421 HH22 ' HE ' ' E' ' 25' ' ' ARG . 39.1 tpt85 -69.75 115.0 8.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 64.07 44.62 4.5 Favored 'General case' 0 C--O 1.243 0.733 0 O-C-N 125.68 1.863 . . . . 0.0 107.881 -175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 HD21 ' H ' ' A' ' 24' ' ' ALA . 14.1 t-20 -45.15 -32.11 1.7 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 111.913 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.15 -54.66 34.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.034 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -67.02 -38.88 86.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 123.69 0.619 . . . . 0.0 110.603 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.83 -46.15 90.15 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 123.856 0.723 . . . . 0.0 109.134 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.63 -42.71 97.45 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.417 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -71.94 -59.43 2.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.433 ' N ' HD22 ' E' ' 34' ' ' ASN . 71.8 mt -64.59 -45.57 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.106 -176.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.418 HD22 ' N ' ' B' ' 33' ' ' ILE . 30.5 m120 -61.79 -41.42 97.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.888 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.92 -44.75 87.03 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.347 0.405 . . . . 0.0 110.004 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.29 -51.75 58.68 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 178.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.41 -46.43 80.18 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -57.38 -44.11 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 125.487 1.742 . . . . 0.0 109.117 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.2 -42.57 98.82 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 HD13 ' SG ' ' E' ' 41' ' ' CYS . 3.3 mm -64.65 -42.9 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 124.151 0.907 . . . . 0.0 109.102 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 83.8 m -56.82 -50.35 72.64 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.955 0.784 . . . . 0.0 109.275 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.86 -41.0 99.2 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 124.363 1.039 . . . . 0.0 110.606 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.79 -24.09 60.88 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.282 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.74 -35.76 60.11 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.91 -41.68 91.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -42.42 96.37 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.7 -43.28 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.518 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mm -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.406 1.066 . . . . 0.0 111.291 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.47 -45.32 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.72 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.47 -49.46 71.33 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.747 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.71 -43.79 72.9 Favored 'General case' 0 C--O 1.251 1.164 0 C-N-CA 123.84 0.856 . . . . 0.0 109.314 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.368 1.392 0 C-N-CA 123.817 0.847 . . . . 0.0 110.791 178.209 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.15 -37.55 72.24 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.59 -41.35 96.3 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.988 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.45 -44.37 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.09 -42.51 99.28 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.88 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.987 0.805 . . . . 0.0 109.238 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.061 0.851 . . . . 0.0 108.938 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -62.45 -45.99 90.55 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.31 -41.71 98.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.983 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -64.63 -38.54 91.35 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.299 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.87 94.81 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.4 -42.9 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -60.43 -41.62 94.38 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.619 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -46.78 81.38 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.638 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -25.76 61.3 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 124.068 0.855 . . . . 0.0 110.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.1 p -66.68 -35.92 81.3 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.157 0.285 . . . . 0.0 110.448 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -98.1 -177.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 124.024 0.827 . . . . 0.0 109.32 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 40.43 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.539 1.136 . . . . 0.0 113.163 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mmt -133.71 -66.09 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.4 -23.35 32.55 Favored 'Trans proline' 0 N--CA 1.507 2.271 0 C-N-CA 121.796 1.664 . . . . 0.0 109.976 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -74.27 -10.72 59.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.265 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -73.09 79.69 1.23 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 175.76 7.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.926 -177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.469 ' HE ' HH22 ' C' ' 25' ' ' ARG . 42.4 tpt85 -70.92 118.72 14.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.015 0.822 . . . . 0.0 108.873 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 69.27 39.13 1.73 Allowed 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.376 2.298 . . . . 0.0 107.897 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -42.48 -36.35 1.3 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.66 -56.92 10.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.665 0.603 . . . . 0.0 110.351 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.39 -38.28 90.47 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.647 0.592 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -60.76 -45.87 92.65 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.7 tp -61.0 -43.33 99.03 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.276 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -72.95 -58.95 2.95 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.418 ' N ' HD22 ' A' ' 34' ' ' ASN . 68.5 mt -64.57 -45.71 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.88 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -61.61 -40.94 96.62 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.613 0.642 . . . . 0.0 109.901 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.84 -45.28 90.42 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.566 0.541 . . . . 0.0 109.588 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -63.26 -53.93 45.27 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.565 0.541 . . . . 0.0 109.89 178.256 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' HB3' ' SG ' ' C' ' 36' ' ' CYS . 16.4 mt -49.78 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.368 1.398 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.5 mt -33.54 -45.4 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 O-C-N 124.93 1.394 . . . . 0.0 111.241 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -61.78 -45.3 94.46 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.457 HD11 ' SG ' ' A' ' 41' ' ' CYS . 2.2 mm -62.31 -42.31 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 38.4 m -57.21 -49.11 77.03 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.159 0.912 . . . . 0.0 109.319 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.23 -41.14 99.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.357 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.85 -25.0 61.79 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 123.563 0.539 . . . . 0.0 111.144 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.57 -36.94 63.08 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.34 -40.94 89.76 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.59 -41.86 98.03 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.0 -43.14 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.45 -45.35 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.54 -45.32 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.69 0.619 . . . . 0.0 109.467 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.9 mmm -68.3 -27.16 66.06 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.983 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 tt -74.19 -42.65 59.49 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 CA--C 1.545 0.77 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.745 179.099 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -58.51 -37.38 75.49 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.6 -41.59 96.13 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.813 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.15 -44.36 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.755 0.66 . . . . 0.0 109.248 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -62.64 -42.21 99.47 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.971 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.76 -39.14 93.25 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.937 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -41.73 99.08 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.875 0.734 . . . . 0.0 109.098 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -62.57 -46.71 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -63.47 -40.55 97.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.059 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.89 -40.61 96.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.86 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.64 91.4 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.722 0.639 . . . . 0.0 110.125 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.83 -43.13 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.479 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -60.78 -41.05 94.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.545 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.479 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.6 OUTLIER -64.52 -46.74 81.61 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.99 -25.91 61.68 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.886 0.741 . . . . 0.0 110.578 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 52.3 p -66.49 -36.1 81.91 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.291 0.37 . . . . 0.0 110.379 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.95 -177.73 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 123.819 0.699 . . . . 0.0 109.2 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 40.33 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.46 1.104 . . . . 0.0 113.287 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mmt -133.64 -66.28 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.99 -23.45 34.31 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 121.938 1.759 . . . . 0.0 109.86 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.07 -12.49 60.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.441 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.88 82.92 0.65 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.425 ' H ' HD21 ' C' ' 27' ' ' ASN . . . -75.44 176.45 7.51 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.615 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.469 HH22 ' HE ' ' B' ' 25' ' ' ARG . 21.0 tpt85 -69.64 114.46 7.87 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 66.33 44.94 2.33 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.894 1.371 . . . . 0.0 108.322 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.425 HD21 ' H ' ' C' ' 24' ' ' ALA . 14.4 t-20 -45.03 -33.31 2.02 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.392 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.26 -58.58 6.69 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 123.84 0.712 . . . . 0.0 109.953 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.56 -38.8 92.51 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 122.63 0.372 . . . . 0.0 110.538 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.08 -45.04 96.36 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 123.911 0.757 . . . . 0.0 109.305 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.39 -45.02 95.04 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.59 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.93 -57.26 4.75 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.29 -45.13 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 118.616 -0.706 . . . . 0.0 111.643 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.416 HD22 ' N ' ' D' ' 33' ' ' ILE . 28.6 m120 -61.66 -41.28 97.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.888 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -58.08 -44.86 87.81 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 123.708 0.63 . . . . 0.0 109.564 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.16 -58.74 6.21 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.146 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' SG ' ' D' ' 36' ' ' CYS . 16.6 mt -45.61 -71.82 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -35.62 -45.1 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.909 1.381 . . . . 0.0 111.098 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.55 -45.51 90.23 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.468 HD13 ' SG ' ' B' ' 41' ' ' CYS . 3.3 mm -60.01 -42.81 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 29.8 m -59.1 -48.94 79.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.904 0.752 . . . . 0.0 109.695 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.91 -39.84 95.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.467 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.92 -27.05 60.83 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.71 -36.13 67.76 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.92 -41.26 92.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.81 -40.61 95.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.11 -43.02 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.58 -45.14 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 123.941 0.775 . . . . 0.0 110.407 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.91 -45.53 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.5 mmm -68.06 -29.58 68.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.031 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.29 -41.8 69.52 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.624 178.789 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.65 -38.22 77.65 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.72 -41.21 96.14 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.818 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.57 -45.05 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 124.076 0.86 . . . . 0.0 109.392 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.35 -41.33 98.85 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.257 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.29 -39.85 94.32 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -42.35 99.25 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.48 -45.98 90.54 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.707 0.629 . . . . 0.0 109.31 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -63.55 -41.22 98.45 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.929 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -65.06 -38.26 90.23 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.223 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -43.03 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -60.43 -41.7 94.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.625 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -46.79 81.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.662 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -26.01 61.72 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.925 0.766 . . . . 0.0 110.527 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -66.32 -36.22 82.37 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.209 0.318 . . . . 0.0 110.475 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.77 -177.42 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 124.049 0.843 . . . . 0.0 109.157 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . 0.421 ' H ' ' NE2' ' D' ' 22' ' ' GLN . 16.4 pt-20 40.04 28.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.6 1.16 . . . . 0.0 113.17 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mmt -134.38 -65.8 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.39 -23.73 32.15 Favored 'Trans proline' 0 N--CA 1.504 2.123 0 C-N-CA 121.815 1.677 . . . . 0.0 109.939 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' D' ' 19' ' ' GLU . 52.8 mt-30 -73.34 -12.73 60.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.237 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.98 82.83 0.67 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . 0.455 ' H ' HD21 ' D' ' 27' ' ' ASN . . . -76.58 176.35 8.43 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.907 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.455 HH22 ' HE ' ' C' ' 25' ' ' ARG . 47.4 tpt85 -69.71 116.73 10.44 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.419 ' HB2' ' NE2' ' E' ' 26' ' ' GLN . 20.1 mt-30 66.58 43.31 2.54 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.233 -1.349 . . . . 0.0 107.514 -174.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.455 HD21 ' H ' ' D' ' 24' ' ' ALA . 11.0 t-20 -45.46 -32.68 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.93 -58.55 6.98 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.807 0.692 . . . . 0.0 109.702 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -63.31 -38.92 93.06 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.382 0.426 . . . . 0.0 111.281 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.76 -44.34 96.85 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.317 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.79 -43.74 98.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.108 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -71.64 -60.04 2.44 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.416 ' N ' HD22 ' C' ' 34' ' ' ASN . 71.6 mt -64.4 -45.5 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.067 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.422 HD22 ' N ' ' E' ' 33' ' ' ILE . 31.3 m120 -61.7 -41.57 97.77 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.052 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -56.71 -44.47 81.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -54.9 23.93 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.979 0.799 . . . . 0.0 110.266 178.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 29.2 mt -53.88 -46.18 71.27 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.727 0.642 . . . . 0.0 109.443 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.01 -42.59 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 125.174 1.546 . . . . 0.0 108.772 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 mt -62.24 -43.97 97.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.393 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.77 -42.85 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.327 1.017 . . . . 0.0 110.011 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 70.8 m -57.6 -48.67 78.77 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.008 0.818 . . . . 0.0 108.81 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.75 -41.36 99.17 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.898 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.14 -50.88 62.45 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -52.18 -36.58 52.17 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.623 0.369 . . . . 0.0 110.409 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.7 -42.62 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.28 -37.95 89.32 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.89 -43.13 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 2.0 mm -63.03 -44.49 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 124.649 1.218 . . . . 0.0 110.448 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.36 -44.47 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.86 -31.28 70.98 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.417 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.73 -42.3 70.73 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.351 0.673 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.605 179.027 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.27 -37.87 78.71 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.318 1.011 . . . . 0.0 109.787 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.55 -44.98 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.374 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.24 -41.6 99.11 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.223 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -62.17 -39.87 94.12 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -42.3 99.2 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.74 -46.3 88.71 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -63.17 -40.86 98.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.101 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 62.2 m -65.57 -37.9 88.0 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.052 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.45 92.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.41 -42.72 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.0 -41.76 97.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.634 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -46.93 80.91 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.682 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.96 61.91 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.177 0.923 . . . . 0.0 110.548 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 57.2 p -66.42 -36.02 81.76 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.05 0.219 . . . . 0.0 110.418 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.76 -179.54 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 123.874 0.734 . . . . 0.0 109.379 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 40.2 30.43 0.07 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.34 1.056 . . . . 0.0 113.079 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.2 mmt -134.97 -65.66 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.93 -23.33 30.14 Favored 'Trans proline' 0 N--CA 1.505 2.194 0 C-N-CA 121.586 1.524 . . . . 0.0 109.563 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -73.14 -11.21 60.45 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.321 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.82 76.45 1.61 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.001 0.905 . . . . 0.0 109.004 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.54 177.45 2.93 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 113.989 -1.46 . . . . 0.0 112.617 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.475 HH11 ' N ' ' E' ' 26' ' ' GLN . 52.4 tpt85 -73.09 123.03 22.76 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.475 ' N ' HH11 ' E' ' 25' ' ' ARG . 0.8 OUTLIER 66.92 35.14 4.93 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.813 -177.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -40.05 -36.52 0.49 Allowed 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.494 -1.23 . . . . 0.0 114.218 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.75 -55.73 27.11 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.423 0.452 . . . . 0.0 110.245 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -66.94 -35.69 80.56 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.634 0.584 . . . . 0.0 110.975 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.77 -46.28 89.66 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.62 -41.85 98.05 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.058 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.26 -60.95 2.0 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.422 ' N ' HD22 ' D' ' 34' ' ' ASN . 61.8 mt -64.03 -46.24 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.155 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.433 HD22 ' N ' ' A' ' 33' ' ' ILE . 31.5 m120 -60.54 -41.81 95.23 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.382 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.88 -44.79 86.89 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.477 0.485 . . . . 0.0 110.141 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -67.63 -40.24 84.61 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.375 0.422 . . . . 0.0 111.848 179.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 mt -65.21 -46.94 78.66 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.769 0.795 . . . . 0.0 109.773 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.4 -42.1 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.944 -1.934 . . . . 0.0 109.181 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.01 -45.11 96.15 Favored 'General case' 0 C--N 1.347 0.47 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.425 HD12 HG22 ' E' ' 40' ' ' ILE . 62.1 mt -67.48 -40.67 84.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 O-C-N 124.121 0.888 . . . . 0.0 110.221 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 79.3 m -56.09 -49.0 75.06 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.9 -41.45 99.44 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.349 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.56 -50.69 66.26 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.84 -34.77 60.3 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.147 0.43 . . . . 0.0 110.521 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.37 -42.13 94.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.31 -38.36 90.77 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.85 -43.98 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -63.72 -44.65 98.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.432 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.89 -46.19 96.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.566 0.541 . . . . 0.0 109.931 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.72 -49.74 73.87 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.72 -41.45 73.87 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.768 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.306 178.097 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.24 -38.01 89.5 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.757 0.661 . . . . 0.0 109.286 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -65.07 -42.18 94.41 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 124.449 1.093 . . . . 0.0 109.719 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.23 -44.28 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 124.055 0.847 . . . . 0.0 108.938 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -62.2 -42.48 99.33 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 124.279 0.987 . . . . 0.0 109.179 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -62.83 -40.05 96.22 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.04 0.837 . . . . 0.0 109.156 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -42.65 99.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.7 -46.36 88.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.59 -41.43 98.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.117 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.76 -40.76 95.82 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.058 0.849 . . . . 0.0 110.306 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.84 96.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.61 -42.26 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.959 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.0 ttp180 -60.64 -43.44 97.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.917 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.426 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.79 -44.32 93.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.855 179.118 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.5 80.9 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.858 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -147.95 140.34 24.41 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.979 0.419 . . . . 0.0 111.444 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.28 117.49 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.326 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -85.4 147.83 26.3 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.135 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ttt -170.76 -59.17 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.134 0 O-C-N 123.922 0.764 . . . . 0.0 110.5 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -75.14 145.68 31.25 Favored 'Trans proline' 0 N--CA 1.509 2.406 0 C-N-CA 122.392 2.061 . . . . 0.0 113.026 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 35.3 mm-40 -77.02 -44.87 29.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.901 0.751 . . . . 0.0 111.063 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.55 -160.67 1.08 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.644 0.59 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.16 -149.05 0.2 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 123.388 0.675 . . . . 0.0 110.851 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.509 HH11 ' H ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -24.49 -57.43 0.05 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.436 1.494 . . . . 0.0 113.766 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' H ' HH11 ' A' ' 25' ' ' ARG . 35.5 mt-30 -49.65 -64.02 0.93 Allowed 'General case' 0 N--CA 1.483 1.21 0 O-C-N 123.461 0.475 . . . . 0.0 110.917 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 22' ' ' GLN . 10.7 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.867 0.729 . . . . 0.0 112.007 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -46.69 89.28 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -39.15 91.39 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.68 0.792 . . . . 0.0 110.44 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -56.62 -46.16 81.09 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.24 -46.03 82.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.898 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.43 -51.37 66.01 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.764 0.665 . . . . 0.0 112.774 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 33' ' ' ILE . 60.2 mt -64.69 -44.85 96.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 O-C-N 123.437 0.461 . . . . 0.0 110.327 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.61 -44.12 96.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.72 -43.59 90.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.89 0.744 . . . . 0.0 109.931 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -64.92 -53.21 49.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.843 0.715 . . . . 0.0 110.517 179.44 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.98 -45.19 79.03 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.52 -41.44 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.565 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.15 -41.77 97.04 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HD13 ' SG ' ' E' ' 41' ' ' CYS . 36.8 mm -62.37 -44.7 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 68.0 m -57.24 -49.78 74.94 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.609 0.568 . . . . 0.0 109.874 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 mt -62.29 -43.65 98.33 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.354 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.82 -48.21 69.64 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.572 0.545 . . . . 0.0 109.771 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.04 -34.9 31.64 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.508 0.323 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.44 -42.23 94.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.38 -38.78 92.25 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.99 -43.64 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.9 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.836 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 123.925 0.766 . . . . 0.0 109.676 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mmm -61.83 -53.01 61.77 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.17 -39.51 69.6 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.071 0.857 . . . . 0.0 110.222 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.274 177.687 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.76 -37.63 87.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.8 -42.22 95.2 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 124.536 1.147 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.28 -44.42 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.021 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.08 -42.33 99.09 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.096 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.66 -40.28 96.56 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 124.058 0.849 . . . . 0.0 109.054 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.73 99.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.3 m -62.67 -46.34 88.61 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.104 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.115 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.83 -40.78 95.73 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.933 0.771 . . . . 0.0 110.283 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.99 96.21 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.31 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.018 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.438 ' HE ' HH12 ' B' ' 14' ' ' ARG . 48.9 ttp180 -60.69 -43.4 97.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.438 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -63.78 -44.35 93.65 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.8 179.043 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.62 81.46 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.802 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -147.83 140.54 24.69 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.943 0.402 . . . . 0.0 111.476 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.36 118.01 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.314 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.86 146.96 26.5 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ttt -169.9 -60.07 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.121 0 O-C-N 123.839 0.712 . . . . 0.0 110.462 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.88 144.9 31.27 Favored 'Trans proline' 0 N--CA 1.509 2.41 0 C-N-CA 122.267 1.978 . . . . 0.0 113.066 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.429 ' H ' ' ND2' ' B' ' 27' ' ' ASN . 33.6 mm-40 -75.18 -46.22 35.57 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.829 0.706 . . . . 0.0 110.937 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -135.49 -156.08 0.69 Allowed 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.864 0.728 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.54 -145.05 0.25 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.329 0.651 . . . . 0.0 112.143 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.563 HH11 ' H ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -34.52 -33.26 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -178.02 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.563 ' H ' HH11 ' B' ' 25' ' ' ARG . 40.9 mt-30 -70.17 -63.67 1.04 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' B' ' 22' ' ' GLN . 10.5 t30 -58.71 -39.39 80.65 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.384 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.54 -47.75 84.16 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.59 -38.92 92.67 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 123.84 0.713 . . . . 0.0 110.522 177.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.11 -46.36 82.67 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 123.891 0.745 . . . . 0.0 109.14 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.16 -46.08 82.32 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.199 0.937 . . . . 0.0 110.714 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.22 -51.78 64.9 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.789 0.681 . . . . 0.0 112.734 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.441 HD11 HG22 ' B' ' 33' ' ' ILE . 58.3 mt -65.02 -44.64 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.633 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.405 HD22 ' N ' ' C' ' 33' ' ' ILE . 8.5 m120 -60.4 -43.54 96.59 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.544 0.528 . . . . 0.0 109.591 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.31 -44.72 95.18 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.062 0.851 . . . . 0.0 110.319 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.918 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -66.99 -39.73 87.21 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.847 0.717 . . . . 0.0 111.786 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.11 -45.51 80.87 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.124 0.964 . . . . 0.0 109.036 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -56.46 -40.67 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 111.59 -2.55 . . . . 0.0 107.908 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.44 -41.9 98.66 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.819 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.442 HD13 ' SG ' ' A' ' 41' ' ' CYS . 22.5 mm -62.99 -44.93 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 63.8 m -55.98 -49.98 72.1 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 123.001 0.52 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.18 -42.62 99.4 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -75.88 -23.77 55.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.19 -36.03 74.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -61.64 -41.64 91.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.96 -41.2 99.45 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.18 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.38 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.293 1.037 . . . . 0.0 110.058 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.15 -45.23 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.046 0.841 . . . . 0.0 109.593 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mmm -62.12 -52.74 62.65 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -55.3 -38.63 68.9 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.285 0.99 . . . . 0.0 110.275 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.408 177.663 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -63.8 -38.01 89.5 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -41.93 95.02 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.593 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.21 -44.13 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 124.179 0.924 . . . . 0.0 108.892 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.12 -44.33 97.51 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.066 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -62.07 -39.86 93.84 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.995 0.81 . . . . 0.0 109.314 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -43.12 99.46 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -62.87 -46.3 88.54 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.345 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.58 -41.32 98.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.197 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 68.8 m -64.85 -40.8 95.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.163 0.915 . . . . 0.0 110.27 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.93 96.66 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.99 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.438 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.76 -43.38 98.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.925 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.438 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -63.69 -44.44 93.69 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.798 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.57 81.33 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -148.16 140.41 24.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.039 0.447 . . . . 0.0 111.336 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 pt -143.99 117.26 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.083 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.21 147.34 25.62 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.324 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 9.0 ttt -171.53 -53.67 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.178 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.319 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.43 148.45 42.98 Favored 'Trans proline' 0 N--CA 1.509 2.405 0 C-N-CA 122.454 2.103 . . . . 0.0 112.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . 0.452 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 37.7 mm-40 -82.83 -44.51 15.39 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.577 0.548 . . . . 0.0 110.018 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -138.28 -164.41 1.62 Allowed 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.895 0.747 . . . . 0.0 109.354 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.26 -151.68 0.2 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.519 0.728 . . . . 0.0 111.375 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.566 HH11 ' H ' ' C' ' 26' ' ' GLN . 0.0 OUTLIER -18.88 -61.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.988 1.715 . . . . 0.0 114.024 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.566 ' H ' HH11 ' C' ' 25' ' ' ARG . 64.1 mt-30 -47.39 -64.92 0.66 Allowed 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.699 0.624 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' C' ' 22' ' ' GLN . 10.4 t30 -58.58 -41.03 84.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.066 0.854 . . . . 0.0 112.084 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.89 -46.55 90.2 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -38.3 90.11 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.801 0.841 . . . . 0.0 110.727 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.62 -45.78 84.95 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.78 -45.88 80.8 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 124.364 1.04 . . . . 0.0 110.736 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.1 -51.69 65.61 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.432 HD11 HG23 ' C' ' 33' ' ' ILE . 59.7 mt -64.84 -44.82 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 123.352 0.408 . . . . 0.0 110.146 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.423 HD22 ' N ' ' D' ' 33' ' ' ILE . 8.6 m120 -60.74 -43.38 97.99 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.628 0.58 . . . . 0.0 109.518 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -58.93 -43.83 91.24 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.038 0.836 . . . . 0.0 110.344 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.49 -53.84 41.77 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.658 0.599 . . . . 0.0 110.449 179.099 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.29 -45.54 76.22 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.641 0.734 . . . . 0.0 109.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.9 mt -57.92 -41.1 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.436 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.97 -41.3 97.59 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.466 HD13 ' SG ' ' B' ' 41' ' ' CYS . 32.7 mm -62.02 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 68.4 m -57.27 -49.89 74.63 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.66 -41.7 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.681 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -76.17 -24.22 54.78 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.59 0.556 . . . . 0.0 111.773 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.73 -35.73 75.25 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.97 -41.7 91.95 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.66 -41.15 98.91 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.39 -43.16 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mm -61.78 -46.48 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.54 -45.34 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.977 0.798 . . . . 0.0 109.378 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.4 -32.03 73.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.921 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 44.8 tp -74.24 -38.87 63.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 CA--C 1.543 0.709 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.47 178.318 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.43 -37.98 87.96 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.92 -42.29 94.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.531 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.97 -44.42 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 124.047 0.842 . . . . 0.0 109.091 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.54 -42.12 99.32 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.195 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.48 -40.05 95.42 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 124.026 0.829 . . . . 0.0 109.215 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -42.59 99.36 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.62 -46.26 89.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.261 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.75 -41.34 99.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.112 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -64.84 -40.71 95.61 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.022 0.826 . . . . 0.0 110.362 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.44 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.49 -42.34 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.907 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.0 ttp180 -60.67 -43.32 97.8 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.068 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -63.87 -44.28 93.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.866 179.077 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.64 81.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.776 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -147.83 140.38 24.57 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.019 0.438 . . . . 0.0 111.316 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.21 117.94 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.243 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -86.02 147.13 26.34 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.126 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.9 ttt -169.99 -59.94 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.117 0 O-C-N 123.832 0.707 . . . . 0.0 110.56 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.92 144.4 30.5 Favored 'Trans proline' 0 N--CA 1.509 2.417 0 C-N-CA 122.265 1.977 . . . . 0.0 112.975 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . 0.408 ' H ' ' ND2' ' D' ' 27' ' ' ASN . 33.6 mm-40 -74.62 -46.03 41.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.661 0.601 . . . . 0.0 110.784 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -135.39 -155.39 0.64 Allowed 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.667 0.604 . . . . 0.0 109.949 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.04 -145.25 0.28 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.362 0.665 . . . . 0.0 112.169 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.538 HH11 ' H ' ' D' ' 26' ' ' GLN . 0.0 OUTLIER -34.08 -34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.538 ' H ' HH11 ' D' ' 25' ' ' ARG . 40.4 mt-30 -70.37 -61.47 1.76 Allowed 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' H ' ' D' ' 22' ' ' GLN . 10.5 t30 -60.25 -39.37 86.51 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 124.054 0.847 . . . . 0.0 111.261 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -47.25 86.84 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.25 93.37 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.787 0.679 . . . . 0.0 110.547 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.69 -46.01 81.44 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 123.726 0.641 . . . . 0.0 109.371 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.44 -45.86 82.15 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 124.268 0.98 . . . . 0.0 110.748 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -63.37 -51.92 63.87 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.82 0.7 . . . . 0.0 112.86 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.423 ' N ' HD22 ' C' ' 34' ' ' ASN . 59.2 mt -64.9 -44.7 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.521 0.513 . . . . 0.0 110.301 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.412 HD22 ' N ' ' E' ' 33' ' ' ILE . 8.8 m120 -60.56 -43.99 96.66 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -58.45 -43.96 89.05 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.745 0.653 . . . . 0.0 110.314 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.92 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -53.64 43.71 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.754 0.659 . . . . 0.0 110.715 179.134 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.82 -45.1 78.41 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.372 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.9 mt -57.65 -41.45 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 108.561 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.68 -41.54 98.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.671 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.483 HD13 ' SG ' ' C' ' 41' ' ' CYS . 34.9 mm -62.22 -44.13 98.75 Favored 'Isoleucine or valine' 0 C--N 1.366 1.318 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 66.4 m -56.94 -49.92 74.19 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.86 0.725 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.42 -42.07 99.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.557 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.09 -24.1 55.02 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.478 0.486 . . . . 0.0 112.03 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.38 -35.35 73.45 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.12 -41.61 91.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.61 -41.12 98.8 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.648 0.593 . . . . 0.0 109.548 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.32 -43.06 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 1.3 mm -62.17 -46.32 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.339 1.056 . . . . 0.0 110.137 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.17 -45.03 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -66.31 -31.19 71.84 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.302 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 46.9 tp -74.09 -39.02 63.7 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.455 178.254 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.53 -38.28 89.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.99 -42.05 94.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.436 1.085 . . . . 0.0 109.749 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.13 -44.35 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.084 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.19 -42.46 99.31 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.13 0.894 . . . . 0.0 109.114 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.6 -40.19 96.14 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 124.103 0.877 . . . . 0.0 109.159 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.56 -46.34 88.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.216 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.77 -40.77 95.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.356 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.9 96.25 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.52 -42.4 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.85 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.434 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.0 ttp180 -60.6 -43.38 97.49 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.044 0.84 . . . . 0.0 109.984 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.434 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -63.78 -44.3 93.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.831 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.61 81.38 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.779 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -148.19 140.37 24.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.936 0.398 . . . . 0.0 111.503 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.35 117.56 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.26 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -85.6 148.21 26.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.131 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.9 ttt -170.75 -59.23 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.12 0 O-C-N 123.867 0.729 . . . . 0.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.59 145.5 29.57 Favored 'Trans proline' 0 N--CA 1.509 2.429 0 C-N-CA 122.474 2.116 . . . . 0.0 112.93 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . 0.417 ' H ' ' ND2' ' E' ' 27' ' ' ASN . 33.9 mm-40 -76.03 -45.21 35.53 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.777 0.673 . . . . 0.0 110.85 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.36 -158.27 0.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.802 0.689 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.88 -149.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 0.0 110.771 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.521 HH11 ' H ' ' E' ' 26' ' ' GLN . 0.0 OUTLIER -20.89 -59.83 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.527 1.531 . . . . 0.0 114.236 -179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.521 ' H ' HH11 ' E' ' 25' ' ' ARG . 64.9 mt-30 -49.03 -64.39 0.82 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.286 0.366 . . . . 0.0 111.089 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' E' ' 22' ' ' GLN . 12.6 t30 -59.45 -40.87 88.23 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.971 0.794 . . . . 0.0 112.024 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.06 -46.62 89.92 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -38.72 90.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.585 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -56.58 -45.77 81.15 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 123.928 0.768 . . . . 0.0 108.957 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.7 -45.91 81.01 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.25 0.969 . . . . 0.0 110.826 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -63.52 -51.56 64.94 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.831 0.707 . . . . 0.0 112.795 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.412 ' N ' HD22 ' D' ' 34' ' ' ASN . 60.1 mt -64.77 -44.78 96.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 O-C-N 123.523 0.514 . . . . 0.0 110.137 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 33' ' ' ILE . 8.5 m120 -60.74 -44.03 97.18 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.66 -43.87 89.97 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.99 0.806 . . . . 0.0 110.182 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.927 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -64.78 -53.6 44.42 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.76 0.663 . . . . 0.0 110.634 179.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.82 -44.88 78.32 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.264 0.554 . . . . 0.0 109.715 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.64 -41.77 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.294 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.52 -41.64 98.49 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.475 HD13 ' SG ' ' D' ' 41' ' ' CYS . 33.8 mm -62.54 -44.05 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 69.8 m -57.83 -49.73 75.69 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.66 0.6 . . . . 0.0 109.459 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.31 -43.61 98.42 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.267 0.979 . . . . 0.0 111.563 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.29 -48.21 68.33 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.844 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.0 -34.36 28.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.542 0.337 . . . . 0.0 110.596 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -42.19 95.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.21 -38.69 91.96 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -47.1 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.477 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.4 -45.71 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 123.98 0.8 . . . . 0.0 109.983 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.42 -52.94 62.49 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 123.681 0.613 . . . . 0.0 109.376 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.1 -39.43 69.32 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.172 0.92 . . . . 0.0 110.39 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.38 177.706 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.23 -37.26 74.51 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.25 -43.14 95.82 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.269 0.981 . . . . 0.0 109.524 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.72 -45.34 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.51 -46.33 89.14 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.03 0.831 . . . . 0.0 109.955 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.97 -40.51 97.93 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.419 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.77 -42.87 99.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.781 0.676 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.33 -47.05 85.95 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.56 -43.67 98.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.107 0.88 . . . . 0.0 110.517 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.07 93.17 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.45 0.469 . . . . 0.0 109.747 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.49 -42.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.857 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.38 -44.1 95.96 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 124.119 0.887 . . . . 0.0 109.771 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.43 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -66.14 -44.64 83.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.892 179.003 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.965 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m -62.18 -45.64 92.48 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.519 0.512 . . . . 0.0 110.673 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.08 -0.13 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 123.785 0.678 . . . . 0.0 111.256 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -72.44 113.77 9.83 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -164.03 59.19 0.73 Allowed Pre-proline 0 CA--C 1.554 1.103 0 O-C-N 123.877 0.736 . . . . 0.0 109.792 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -58.97 -31.67 96.07 Favored 'Trans proline' 0 N--CA 1.511 2.545 0 C-N-CA 122.746 2.297 . . . . 0.0 111.461 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -66.79 -37.74 85.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.78 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.93 31.12 0.43 Allowed 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.764 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.43 66.42 8.02 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -52.93 173.24 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 112.854 -1.976 . . . . 0.0 115.521 -176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.6 -39.29 22.41 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 112.009 -2.36 . . . . 0.0 106.65 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -65.4 -41.95 93.09 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.906 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.33 -43.08 99.47 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -37.55 85.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.24 177.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -56.45 -45.51 80.78 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.67 -45.46 89.98 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.367 1.042 . . . . 0.0 110.204 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.86 -50.71 69.85 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.214 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -65.81 -44.53 92.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.242 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.76 -43.7 94.17 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.2 -44.2 92.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.803 0.689 . . . . 0.0 109.854 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -62.9 -50.84 69.28 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.88 -45.29 90.58 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 124.15 0.906 . . . . 0.0 109.272 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.52 -43.19 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.671 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.62 -43.38 98.95 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.45 -44.46 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 77.8 m -57.37 -45.7 84.17 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.74 -37.83 88.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.096 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.12 -52.27 50.1 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.631 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.53 -38.95 47.42 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.769 0.713 . . . . 0.0 110.393 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -65.38 -34.98 79.59 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.59 0.556 . . . . 0.0 110.143 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.99 -42.24 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.1 mm -64.58 -42.65 95.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.56 -42.12 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.3 mmm -60.67 -58.49 8.23 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.9 tp -47.66 -40.38 19.67 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 124.092 0.87 . . . . 0.0 110.747 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.385 177.718 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -58.0 -37.09 73.61 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.849 0.357 . . . . 0.0 110.065 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.24 -43.12 95.89 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.487 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.83 -45.36 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.66 -46.14 89.92 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.791 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.24 -40.31 97.08 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.867 0.729 . . . . 0.0 109.389 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.95 -42.73 99.44 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.972 0.795 . . . . 0.0 109.431 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.62 -46.69 87.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -61.65 -43.59 98.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.224 0.953 . . . . 0.0 109.947 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.9 m -64.93 -40.18 94.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 124.166 0.916 . . . . 0.0 110.381 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.95 93.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.542 0.526 . . . . 0.0 109.842 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.75 -42.7 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 124.274 0.984 . . . . 0.0 108.818 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.433 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.3 ttp180 -60.58 -43.75 96.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.159 0.912 . . . . 0.0 109.708 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.433 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -66.39 -44.63 82.53 Favored 'General case' 0 C--N 1.343 0.324 0 O-C-N 123.892 0.745 . . . . 0.0 109.896 178.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 109.799 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -61.42 -45.63 93.5 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.496 0.497 . . . . 0.0 110.867 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.63 1.11 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.717 0.636 . . . . 0.0 111.211 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -74.48 112.9 11.12 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -163.98 60.66 0.87 Allowed Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 123.992 0.807 . . . . 0.0 109.674 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.05 -31.77 96.23 Favored 'Trans proline' 0 N--CA 1.508 2.366 0 C-N-CA 122.747 2.298 . . . . 0.0 111.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -65.68 -39.09 90.95 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.833 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.11 28.65 0.8 Allowed 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.963 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.38 63.82 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 47.64 167.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -89.35 -41.9 11.87 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 110.875 -2.875 . . . . 0.0 108.377 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -64.99 -42.75 94.25 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.52 -42.75 97.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -37.75 86.32 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.837 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -56.5 -44.96 81.21 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.57 -45.44 87.02 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.222 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -62.82 -50.38 71.2 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.899 0.749 . . . . 0.0 112.249 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -65.7 -44.39 93.36 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.317 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.0 -43.57 95.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -59.71 -44.25 93.79 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.712 0.633 . . . . 0.0 109.833 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -63.65 -50.35 69.63 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.726 0.641 . . . . 0.0 110.621 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.78 -46.53 84.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -58.79 -43.42 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.536 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.24 -42.49 99.23 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 19.5 mm -63.93 -43.25 97.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.2 m -57.7 -46.96 83.64 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.845 0.716 . . . . 0.0 109.331 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.87 -38.77 92.09 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.369 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.44 -27.91 60.81 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 124.026 0.829 . . . . 0.0 111.633 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.89 -39.32 83.69 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.88 -42.65 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.74 -36.55 83.37 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 123.699 0.624 . . . . 0.0 109.732 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.1 mt -63.3 -41.84 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -64.16 -42.58 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 63.1 t -62.79 -43.02 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 81.0 mmm -65.63 -37.55 86.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.166 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -41.45 97.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.247 177.72 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -58.74 -36.7 74.74 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.488 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.77 -45.65 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -58.78 -46.24 87.99 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.272 0.982 . . . . 0.0 109.569 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -63.63 -39.99 95.76 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 124.017 0.823 . . . . 0.0 109.282 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.18 -41.88 98.75 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.977 0.798 . . . . 0.0 109.472 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.92 -47.42 83.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.05 -42.98 99.75 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.081 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.426 ' HG ' ' NH2' ' C' ' 13' ' ' ARG . 39.1 t -63.4 -42.18 98.77 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.36 1.038 . . . . 0.0 110.228 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.87 90.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.25 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.17 -42.85 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.426 ' NH2' ' HG ' ' C' ' 10' ' ' SER . 49.3 ttp180 -60.63 -43.66 97.27 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 124.05 0.844 . . . . 0.0 109.599 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.422 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER -66.17 -44.38 84.21 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.971 178.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.27 96.3 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 123.807 0.692 . . . . 0.0 109.915 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -62.24 -45.77 91.84 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.563 0.539 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -0.08 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 123.751 0.657 . . . . 0.0 111.342 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -72.13 113.65 9.39 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -163.99 59.41 0.76 Allowed Pre-proline 0 CA--C 1.553 1.081 0 O-C-N 123.875 0.734 . . . . 0.0 109.769 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.92 -31.64 95.87 Favored 'Trans proline' 0 N--CA 1.51 2.497 0 C-N-CA 122.913 2.408 . . . . 0.0 111.393 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -66.63 -37.98 85.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.784 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.54 31.06 0.47 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.931 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 65.59 7.3 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -51.87 173.08 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 112.593 -2.094 . . . . 0.0 115.473 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.28 -40.43 21.54 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.887 -2.415 . . . . 0.0 106.5 174.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -65.38 -43.12 91.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.115 0.884 . . . . 0.0 109.474 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -42.69 97.54 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -37.62 86.58 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.267 0.979 . . . . 0.0 110.614 176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.38 -45.79 80.39 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 123.678 0.611 . . . . 0.0 109.51 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.66 -45.17 91.37 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 124.697 1.248 . . . . 0.0 110.553 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -62.91 -50.7 69.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 124.074 0.858 . . . . 0.0 112.036 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.423 HD11 HG22 ' C' ' 33' ' ' ILE . 54.0 mt -65.72 -44.52 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 119.221 -0.419 . . . . 0.0 110.147 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -59.8 -43.92 94.23 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.677 0.611 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.35 -43.7 92.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.006 0.816 . . . . 0.0 110.05 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.51 -50.82 68.13 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.027 0.829 . . . . 0.0 110.275 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.45 -45.5 88.43 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.974 0.796 . . . . 0.0 110.141 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.1 -43.41 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.424 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.03 -43.91 97.83 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.447 HD12 HG22 ' C' ' 40' ' ' ILE . 45.5 mt -66.94 -41.56 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.176 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.8 m -56.13 -43.87 78.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.5 mt -66.39 -35.6 80.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.036 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.41 -31.18 63.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.121 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.64 -39.2 88.16 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.38 -42.91 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.45 -36.67 84.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.944 0.778 . . . . 0.0 109.775 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 40.4 mt -63.6 -42.41 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -63.75 -42.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.577 0.548 . . . . 0.0 109.692 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.78 -43.38 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.34 -38.83 91.31 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.33 -41.57 98.9 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.007 177.808 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.74 -36.98 75.21 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.29 -42.92 96.15 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.723 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.5 -46.62 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -57.93 -46.83 84.41 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.393 1.058 . . . . 0.0 109.82 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.31 -40.42 97.29 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.939 0.774 . . . . 0.0 109.672 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.84 -42.54 99.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.941 0.776 . . . . 0.0 109.495 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.35 -47.21 85.23 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.59 -43.56 98.63 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.967 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -64.78 -40.13 94.75 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 124.008 0.817 . . . . 0.0 110.561 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.92 93.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.82 -42.65 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.826 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.61 -43.87 96.95 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.153 0.908 . . . . 0.0 109.708 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -66.34 -44.48 83.17 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.9 179.051 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.29 98.66 Favored 'General case' 0 C--N 1.34 0.184 0 O-C-N 124.005 0.816 . . . . 0.0 110.017 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -61.49 -45.64 93.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.469 0.481 . . . . 0.0 110.781 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.08 1.73 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.568 0.543 . . . . 0.0 111.368 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -74.72 112.22 10.71 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -163.88 60.58 0.87 Allowed Pre-proline 0 CA--C 1.549 0.922 0 O-C-N 124.117 0.886 . . . . 0.0 109.759 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.71 -31.8 95.65 Favored 'Trans proline' 0 N--CA 1.516 2.798 0 C-N-CA 122.936 2.424 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.72 -38.75 90.04 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.533 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.0 27.78 0.98 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.329 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.59 -26.34 63.54 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 48.95 165.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -88.33 -41.66 12.72 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.659 -2.973 . . . . 0.0 108.398 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -65.37 -42.87 92.28 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.342 0.657 . . . . 0.0 110.488 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.55 -42.27 98.59 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -37.51 86.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 124.255 0.972 . . . . 0.0 110.013 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -56.59 -45.0 81.61 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.11 -44.98 90.6 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 124.681 1.238 . . . . 0.0 110.414 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -63.37 -50.98 67.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.929 0.768 . . . . 0.0 112.135 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.43 HD11 HG22 ' D' ' 33' ' ' ILE . 57.7 mt -65.3 -44.63 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.428 0.455 . . . . 0.0 110.091 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.74 -43.78 94.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -60.35 -44.12 95.83 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -38.87 89.05 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.488 0.493 . . . . 0.0 111.418 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.16 -45.6 76.54 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.61 -41.6 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.955 1.41 . . . . 0.0 108.053 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.1 -44.4 95.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.41 -44.08 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.4 m -55.97 -45.96 78.76 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.676 0.61 . . . . 0.0 110.092 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.0 mt -65.84 -34.86 79.12 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.83 -30.92 61.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.71 -39.06 90.82 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.89 -43.22 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.56 -37.19 86.36 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.894 0.746 . . . . 0.0 110.001 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -63.38 -41.88 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 22.9 mm -64.56 -42.51 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.35 -43.36 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.06 -39.0 92.64 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.217 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.86 -41.71 99.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.437 177.312 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.5 -37.18 72.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.85 0.357 . . . . 0.0 110.065 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -63.93 -43.35 96.13 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.555 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.79 -45.58 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 124.192 0.933 . . . . 0.0 108.742 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -58.75 -46.9 86.39 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.164 0.915 . . . . 0.0 109.81 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.0 -40.44 97.77 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.739 0.649 . . . . 0.0 109.517 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.896 0.747 . . . . 0.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -63.08 -46.61 86.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.76 -43.3 99.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.026 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -65.03 -40.09 94.34 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 124.046 0.842 . . . . 0.0 110.575 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.86 93.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.91 -42.73 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.787 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.431 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -60.49 -44.03 96.39 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.158 0.911 . . . . 0.0 109.774 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.431 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -66.09 -44.8 83.34 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.815 178.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.56 96.6 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.984 0.803 . . . . 0.0 109.855 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -62.09 -45.76 92.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.646 0.591 . . . . 0.0 110.71 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.37 0.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.556 0.535 . . . . 0.0 111.298 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.79 113.8 11.34 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -165.21 60.38 0.7 Allowed Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 124.073 0.858 . . . . 0.0 109.798 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.86 -32.28 96.96 Favored 'Trans proline' 0 N--CA 1.511 2.536 0 C-N-CA 122.815 2.343 . . . . 0.0 111.311 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.42 -38.43 89.89 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.742 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.4 28.96 0.8 Allowed 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.47 63.8 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 47.75 165.27 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 175.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.75 -42.45 13.32 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 110.272 -3.149 . . . . 0.0 108.108 176.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -64.45 -42.7 95.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.893 0.746 . . . . 0.0 110.482 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.44 -42.9 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -37.43 86.84 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.039 0.837 . . . . 0.0 110.084 177.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.95 -45.33 82.9 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.32 -44.74 90.6 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.115 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -62.98 -50.77 69.46 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.907 0.754 . . . . 0.0 112.144 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.411 HD11 HG22 ' E' ' 33' ' ' ILE . 56.8 mt -65.82 -44.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.086 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.39 -43.84 92.88 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -60.99 -44.57 97.19 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.837 0.711 . . . . 0.0 109.729 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.888 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -63.75 -40.14 95.98 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.491 179.088 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' E' ' 40' ' ' ILE . 6.6 mt -64.25 -70.98 0.19 Allowed 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 104.076 -2.564 . . . . 0.0 104.076 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -35.85 -42.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 125.119 1.512 . . . . 0.0 109.654 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.35 -46.82 84.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.507 0.323 . . . . 0.0 110.819 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' E' ' 37' ' ' LEU . 7.5 mm -63.28 -43.42 98.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.956 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 61.1 m -56.56 -46.35 80.78 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 123.628 0.58 . . . . 0.0 109.689 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.71 -35.52 81.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.689 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.2 -52.15 44.68 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.58 -38.93 48.14 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.457 0.571 . . . . 0.0 109.697 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.52 -44.57 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -65.69 -34.45 78.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.917 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.03 -41.88 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -64.53 -41.96 93.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.16 -42.91 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.79 -39.38 93.5 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.864 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 124.03 0.832 . . . . 0.0 108.813 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.143 177.75 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.53 -37.35 78.16 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.173 0.511 . . . . 0.0 109.681 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.47 -42.05 96.15 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.436 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.02 -45.34 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 123.977 0.798 . . . . 0.0 108.863 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -60.29 -47.39 86.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.646 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.73 -40.53 97.5 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.09 0.868 . . . . 0.0 109.793 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.66 -43.22 99.27 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.749 0.655 . . . . 0.0 109.508 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.27 -46.69 87.67 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.62 -42.62 99.14 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.098 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.091 0.869 . . . . 0.0 110.573 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.86 92.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.43 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.57 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -60.76 -40.98 94.51 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.249 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -74.37 -20.15 60.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.925 0.766 . . . . 0.0 111.518 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.46 66.97 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -63.43 -17.14 62.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.8 pt -72.35 130.93 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.196 0.31 . . . . 0.0 110.413 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -130.28 128.4 41.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.831 0.707 . . . . 0.0 109.446 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.9 ttt -162.17 63.13 1.46 Allowed Pre-proline 0 CA--C 1.553 1.075 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -60.13 -24.16 75.96 Favored 'Trans proline' 0 N--CA 1.514 2.699 0 C-N-CA 122.879 2.386 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.81 -19.37 64.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.118 0.886 . . . . 0.0 111.76 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -42.96 104.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.281 0.988 . . . . 0.0 112.879 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.56 133.19 0.78 Allowed 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.499 -1.228 . . . . 0.0 108.664 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -16.95 -77.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.012 1.325 . . . . 0.0 112.97 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.451 HE22 HE21 ' B' ' 26' ' ' GLN . 70.3 mt-30 -44.14 -52.51 7.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.116 0.26 . . . . 0.0 111.658 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.63 -38.71 85.68 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.076 0.551 . . . . 0.0 111.247 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.12 -35.76 77.9 Favored 'General case' 0 N--CA 1.461 0.109 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.87 -37.57 86.51 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.22 -46.29 89.53 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.22 -44.23 95.36 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.642 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -74.51 -57.54 3.87 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' N ' HD22 ' E' ' 34' ' ' ASN . 63.2 mt -65.0 -45.85 93.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.48 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.434 HD22 ' N ' ' B' ' 33' ' ' ILE . 30.7 m120 -60.92 -41.44 96.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.717 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -57.77 -45.81 85.45 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -67.93 -38.85 83.4 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.947 0.779 . . . . 0.0 111.811 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.49 -45.89 74.54 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.288 0.566 . . . . 0.0 109.905 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.14 -41.91 85.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.135 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.66 -43.46 98.82 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 40' ' ' ILE . 1.5 mm -65.51 -42.39 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 O-C-N 123.754 0.659 . . . . 0.0 109.692 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 70.8 m -57.36 -49.41 76.25 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.18 -39.55 94.97 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 124.897 1.373 . . . . 0.0 110.756 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.88 -25.68 61.17 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.859 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.48 -36.09 63.29 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -61.07 -40.72 86.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.37 -42.77 99.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.57 -43.39 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 123.675 0.609 . . . . 0.0 109.362 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mm -62.51 -44.82 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 124.316 1.01 . . . . 0.0 110.606 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.73 -46.44 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 123.914 0.759 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mmm -63.94 -49.05 74.09 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.874 0.734 . . . . 0.0 109.798 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.53 -42.5 92.44 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 0.0 110.187 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.767 178.616 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.23 -36.88 76.24 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.204 0.526 . . . . 0.0 109.767 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.7 -41.99 95.61 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.633 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.42 -44.47 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.22 -47.34 86.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.541 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.0 -41.02 99.48 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 124.043 0.839 . . . . 0.0 109.846 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.94 -43.27 99.19 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.89 0.744 . . . . 0.0 109.526 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.78 -45.62 91.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -62.56 -42.18 99.38 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.923 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -65.66 -38.41 89.23 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 124.141 0.901 . . . . 0.0 110.55 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.69 91.25 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.618 0.574 . . . . 0.0 109.601 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.37 -42.41 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.404 HH21 ' NH2' ' B' ' 14' ' ' ARG . 50.8 ttp180 -60.64 -40.96 93.89 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.137 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.404 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER -74.46 -20.01 60.17 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.944 0.777 . . . . 0.0 111.517 179.386 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -24.63 66.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.9 p -63.67 -16.97 62.41 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.079 0.237 . . . . 0.0 111.613 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 pt -72.3 130.84 35.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.258 0.349 . . . . 0.0 110.266 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -130.26 127.68 40.06 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.811 0.694 . . . . 0.0 109.584 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.2 ttt -161.3 62.47 1.54 Allowed Pre-proline 0 CA--C 1.55 0.976 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.57 -24.03 77.17 Favored 'Trans proline' 0 N--CA 1.517 2.861 0 C-N-CA 122.78 2.32 . . . . 0.0 112.463 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.73 -20.8 65.27 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.797 0.686 . . . . 0.0 111.682 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -41.77 101.59 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 O-C-N 124.393 1.058 . . . . 0.0 112.89 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 139.41 6.69 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.021 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -33.68 -41.4 0.09 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.463 ' NE2' HE21 ' C' ' 26' ' ' GLN . 82.8 mt-30 -73.22 -49.67 26.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -61.61 -34.7 76.1 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.352 1.061 . . . . 0.0 110.373 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.72 -39.25 90.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.37 -38.12 89.1 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 123.501 0.501 . . . . 0.0 109.94 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.03 -47.13 86.13 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.7 -44.57 96.39 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.825 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -74.52 -56.8 4.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.434 ' N ' HD22 ' A' ' 34' ' ' ASN . 59.7 mt -64.38 -46.34 93.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.95 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.413 HD22 ' N ' ' C' ' 33' ' ' ILE . 31.5 m120 -61.22 -40.9 95.73 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.463 0.574 . . . . 0.0 110.416 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -57.46 -45.34 84.88 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.69 0.619 . . . . 0.0 109.566 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.935 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -66.47 -51.04 61.03 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.014 0.821 . . . . 0.0 110.156 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.77 -44.55 81.91 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.568 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.55 -42.51 91.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.979 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.0 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 mt -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.407 HG22 HD12 ' B' ' 40' ' ' ILE . 1.8 mm -64.23 -42.87 96.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 79.3 m -59.0 -48.42 81.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 123.604 0.565 . . . . 0.0 109.65 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.35 -39.9 95.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.391 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.87 -25.24 61.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.89 -36.53 64.79 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.62 -40.81 87.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.42 -42.78 99.29 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.54 -43.08 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 mm -61.67 -44.72 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 124.059 0.85 . . . . 0.0 110.935 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.76 -47.17 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 124.061 0.851 . . . . 0.0 109.383 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 83.9 mmm -64.88 -50.73 65.43 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 123.886 0.742 . . . . 0.0 110.331 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.87 -40.49 76.28 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.209 1.003 . . . . 0.0 110.563 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp . . . . . 0 CA--C 1.544 0.726 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.545 177.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.79 -36.8 77.47 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.42 -42.45 96.03 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.772 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.3 -45.2 96.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -59.67 -47.33 86.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.661 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.23 -40.35 97.21 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 109.725 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -42.95 99.69 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -62.66 -46.57 87.58 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -61.88 -42.42 99.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.835 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -65.55 -38.86 90.82 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 124.143 0.902 . . . . 0.0 110.466 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.16 91.5 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.16 -42.47 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.489 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.417 HH21 ' NH2' ' C' ' 14' ' ' ARG . 50.6 ttp180 -60.77 -40.84 94.07 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.16 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.417 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -74.51 -20.03 60.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.099 0.875 . . . . 0.0 111.527 179.253 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -24.59 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -63.31 -16.73 61.24 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.083 0.239 . . . . 0.0 111.574 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 pt -73.07 131.81 34.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -132.78 127.56 34.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.765 0.666 . . . . 0.0 109.464 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 11.2 ttt -160.63 63.55 1.9 Allowed Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.8 -23.54 76.85 Favored 'Trans proline' 0 N--CA 1.513 2.631 0 C-N-CA 122.708 2.272 . . . . 0.0 112.52 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.14 -21.13 65.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.861 0.726 . . . . 0.0 111.575 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.85 102.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.153 0.908 . . . . 0.0 112.734 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.64 136.25 5.23 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.289 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.451 ' NH1' ' H ' ' B' ' 26' ' ' GLN . 12.5 ttp180 -32.26 -42.4 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.463 HE21 ' NE2' ' B' ' 26' ' ' GLN . 82.4 mt-30 -72.78 -48.19 40.3 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -62.39 -34.4 76.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.427 1.08 . . . . 0.0 110.464 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.82 -38.61 88.78 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.69 -38.2 90.19 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.349 0.406 . . . . 0.0 110.019 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.83 -46.45 89.42 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.27 -44.3 97.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.709 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -74.37 -56.92 4.32 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' N ' HD22 ' B' ' 34' ' ' ASN . 61.2 mt -64.34 -46.72 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.478 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.423 HD22 ' N ' ' D' ' 33' ' ' ILE . 29.7 m120 -60.49 -40.76 92.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.277 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -58.62 -44.91 90.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.82 -52.59 59.51 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.831 0.707 . . . . 0.0 110.031 178.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -52.72 -74.63 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -32.85 -46.92 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.571 1.148 . . . . 0.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.73 -47.59 85.6 Favored 'General case' 0 C--N 1.37 1.457 0 O-C-N 122.191 -0.318 . . . . 0.0 110.429 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.444 HD12 HG22 ' C' ' 40' ' ' ILE . 54.6 mt -64.65 -41.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 59.8 m -55.13 -48.21 73.97 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.53 -37.89 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.189 -1.368 . . . . 0.0 110.814 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.39 -28.01 61.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.684 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -37.12 69.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -41.19 86.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.66 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.56 -44.06 96.57 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.34 -41.66 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.525 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.13 -44.29 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 124.181 0.926 . . . . 0.0 110.286 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.47 -46.02 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 123.939 0.774 . . . . 0.0 109.407 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 71.3 mmm -63.33 -49.97 71.85 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 123.776 0.672 . . . . 0.0 109.733 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.94 -42.33 89.54 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.178 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.8 tp . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.814 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.27 -37.01 76.56 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.49 -42.26 95.97 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.742 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.2 -45.01 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -60.42 -47.2 87.11 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.741 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -62.76 -40.59 97.74 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.878 0.736 . . . . 0.0 109.661 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.84 -43.14 99.44 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -62.83 -45.72 91.29 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.651 0.594 . . . . 0.0 109.407 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.08 -42.72 99.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.082 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -65.12 -39.06 92.57 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 124.15 0.906 . . . . 0.0 110.524 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -43.99 91.36 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.58 0.55 . . . . 0.0 109.705 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.34 -42.33 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.411 HH21 ' NH2' ' D' ' 14' ' ' ARG . 50.7 ttp180 -60.76 -41.02 94.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.295 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.411 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER -74.29 -19.87 60.33 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.049 0.843 . . . . 0.0 111.459 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -24.38 66.9 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 18.1 p -63.14 -16.61 60.6 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.103 0.252 . . . . 0.0 111.622 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 pt -73.26 131.81 34.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 123.511 0.507 . . . . 0.0 110.026 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -132.6 127.83 35.84 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.754 0.659 . . . . 0.0 109.536 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.2 ttt -161.25 63.82 1.79 Allowed Pre-proline 0 CA--C 1.55 0.961 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -60.25 -23.2 73.4 Favored 'Trans proline' 0 N--CA 1.514 2.705 0 C-N-CA 122.796 2.331 . . . . 0.0 112.498 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.59 -19.37 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.014 0.821 . . . . 0.0 111.837 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -42.91 103.41 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.947 0.899 . . . . 0.0 112.46 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.07 131.96 0.82 Allowed 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.976 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.406 ' NH1' ' H ' ' C' ' 26' ' ' GLN . 7.5 ttp180 -15.79 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.748 1.619 . . . . 0.0 112.554 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.461 ' NE2' HE21 ' E' ' 26' ' ' GLN . 65.6 mt-30 -42.5 -51.49 5.03 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 122.863 0.465 . . . . 0.0 111.042 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.87 -38.22 90.01 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.036 0.534 . . . . 0.0 111.001 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.93 -35.95 78.05 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.64 -38.69 91.85 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.72 -45.39 94.18 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.26 -43.77 98.33 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.749 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -74.54 -58.84 3.03 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.423 ' N ' HD22 ' C' ' 34' ' ' ASN . 63.6 mt -63.32 -46.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.39 -176.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.423 HD22 ' N ' ' E' ' 33' ' ' ILE . 31.5 m120 -61.02 -41.46 96.6 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.303 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -57.73 -45.41 85.83 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.616 0.572 . . . . 0.0 109.5 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -68.4 -39.1 81.77 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.144 0.903 . . . . 0.0 111.929 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 mt -67.21 -44.64 79.05 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.52 -42.12 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 125.356 1.66 . . . . 0.0 108.73 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.47 -44.14 97.11 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.543 1.152 . . . . 0.0 109.483 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -64.47 -43.24 96.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.2 m -58.22 -49.01 78.57 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.759 0.662 . . . . 0.0 109.316 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.63 -40.58 97.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.562 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.29 -51.08 65.3 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.02 -36.68 60.79 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 122.726 0.41 . . . . 0.0 110.384 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.79 -42.22 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.54 -39.75 94.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.05 -43.69 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.19 -44.17 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.419 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.09 -46.65 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 O-C-N 124.119 0.887 . . . . 0.0 109.769 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mmm -63.57 -50.77 68.15 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 123.868 0.73 . . . . 0.0 109.518 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.28 -42.41 86.47 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.62 0.768 . . . . 0.0 110.482 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.722 178.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.62 -36.75 76.94 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.71 -41.85 95.7 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.64 -43.73 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 124.068 0.855 . . . . 0.0 109.108 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.98 -47.1 86.34 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.647 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.87 -41.34 99.35 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.698 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.8 -43.02 99.68 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.838 0.711 . . . . 0.0 109.736 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.88 -45.9 90.38 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -62.45 -42.13 99.24 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.014 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -65.3 -38.81 91.35 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.086 0.866 . . . . 0.0 110.515 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.03 91.82 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.25 -42.38 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.536 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.419 HH21 ' NH2' ' E' ' 14' ' ' ARG . 50.7 ttp180 -60.68 -40.88 93.81 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.229 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.419 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER -74.56 -19.89 60.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.937 0.773 . . . . 0.0 111.393 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.65 66.82 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 18.1 p -63.26 -16.87 61.61 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 pt -73.01 132.05 33.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 123.518 0.512 . . . . 0.0 110.026 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -132.76 128.29 36.5 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.869 0.731 . . . . 0.0 109.584 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 11.3 ttt -161.29 63.63 1.74 Allowed Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.52 -22.91 73.81 Favored 'Trans proline' 0 N--CA 1.512 2.592 0 C-N-CA 122.841 2.361 . . . . 0.0 112.592 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.87 -18.98 65.64 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.044 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.1 101.92 0.02 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.166 0.984 . . . . 0.0 112.613 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.48 133.05 1.62 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.806 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -17.42 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 125.696 1.598 . . . . 0.0 112.601 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.461 HE21 ' NE2' ' D' ' 26' ' ' GLN . 67.6 mt-30 -43.32 -51.92 6.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 123.725 0.64 . . . . 0.0 111.1 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -61.99 -39.09 91.02 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.2 0.6 . . . . 0.0 110.961 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.6 -35.0 75.04 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -65.33 -37.8 88.22 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.73 -46.16 90.82 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.63 -44.09 96.75 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.8 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -74.77 -57.23 4.04 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.423 ' N ' HD22 ' D' ' 34' ' ' ASN . 55.9 mt -64.26 -46.9 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.393 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 33' ' ' ILE . 31.7 m120 -60.76 -41.04 94.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.423 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -57.29 -44.95 84.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.552 0.533 . . . . 0.0 109.867 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.45 -50.75 64.2 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 123.643 0.589 . . . . 0.0 110.795 178.572 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.26 -46.54 85.83 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.675 0.609 . . . . 0.0 109.674 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.87 -43.96 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 124.707 1.255 . . . . 0.0 109.584 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.41 -44.36 97.28 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.57 0.544 . . . . 0.0 110.054 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.442 HD12 HG22 ' E' ' 40' ' ' ILE . 59.7 mt -67.06 -41.01 86.66 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 124.115 0.884 . . . . 0.0 110.182 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.2 m -55.81 -48.84 74.69 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.31 -40.57 97.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.591 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.08 -50.89 66.54 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.53 -34.0 64.3 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.829 0.452 . . . . 0.0 110.4 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.06 -41.93 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.11 -39.99 96.32 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.39 -43.71 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.25 -43.95 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.22 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.47 -46.12 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 O-C-N 124.027 0.83 . . . . 0.0 109.683 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.3 mmm -63.75 -50.74 67.86 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.42 -42.29 86.88 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 124.083 0.865 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 CA--C 1.543 0.709 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.502 178.274 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.57 -38.12 89.92 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.83 -42.41 94.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.348 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.74 -44.17 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.217 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.48 -44.17 96.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.31 -40.36 97.12 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.951 0.782 . . . . 0.0 109.228 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -41.95 98.19 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.968 0.792 . . . . 0.0 109.066 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -62.5 -46.27 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.53 -41.96 99.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.924 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -65.51 -38.66 90.34 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 124.06 0.85 . . . . 0.0 110.419 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.96 92.72 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.607 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 124.119 0.887 . . . . 0.0 108.655 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -60.02 -40.81 90.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.401 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -41.41 73.33 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.605 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 4.79 19.13 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.047 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -144.82 55.8 1.25 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.4 pt -77.26 131.7 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.761 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -123.65 -47.87 1.94 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.336 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptp 33.78 55.04 1.51 Allowed Pre-proline 0 CA--C 1.562 1.415 0 C-N-CA 125.193 1.397 . . . . 0.0 114.024 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.55 -177.59 1.88 Allowed 'Trans proline' 0 N--CA 1.517 2.898 0 C-N-CA 122.886 2.391 . . . . 0.0 112.031 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.57 -40.22 88.86 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.413 0.625 . . . . 0.0 109.464 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -75.66 -5.75 47.07 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.538 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.48 91.87 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -168.72 170.73 9.15 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -62.87 -36.76 84.33 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.667 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.02 -36.11 82.91 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 113.963 -1.472 . . . . 0.0 111.39 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -35.12 75.06 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.653 0.596 . . . . 0.0 110.694 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.42 -37.77 76.06 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 117.849 0.295 . . . . 0.0 111.193 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.37 -45.99 89.9 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 124.47 1.106 . . . . 0.0 110.079 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.8 -49.06 79.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.296 -178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.18 -50.51 63.63 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.52 -45.69 97.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 O-C-N 123.762 0.664 . . . . 0.0 110.039 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.96 -42.07 94.93 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.619 0.574 . . . . 0.0 110.34 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.01 -47.24 78.16 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.692 0.62 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -49.7 69.02 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.75 -43.6 94.21 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.794 0.684 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.32 -43.11 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.289 0.993 . . . . 0.0 108.598 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.03 -42.28 99.0 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mm -63.66 -42.47 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.227 -0.656 . . . . 0.0 109.227 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 58.4 m -57.15 -48.4 78.8 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.42 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.218 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.81 -28.51 58.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.841 0.457 . . . . 0.0 111.352 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.35 -39.23 81.94 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.05 -42.71 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.98 -37.1 85.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.616 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -63.37 -42.16 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -64.6 -42.53 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 123.583 0.552 . . . . 0.0 109.562 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 71.8 mmm -65.4 -37.78 88.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.005 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.36 -41.47 96.72 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.395 177.821 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.13 -37.76 88.5 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.05 -42.26 94.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.394 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.85 -44.57 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 124.238 0.961 . . . . 0.0 109.055 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.29 -44.06 95.7 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.155 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.52 ' HH ' HH22 ' B' ' 13' ' ' ARG . 88.5 t80 -63.34 -40.74 98.12 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 124.053 0.846 . . . . 0.0 109.292 177.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -41.79 97.91 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.947 0.779 . . . . 0.0 109.155 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.7 m -62.34 -46.61 87.91 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.35 -42.17 99.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.12 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.35 -39.42 93.85 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.085 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.08 86.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.239 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.38 -44.89 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.78 0.675 . . . . 0.0 110.671 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.52 HH22 ' HH ' ' B' ' 6' ' ' TYR . 10.1 ptt180 -69.47 -27.56 65.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.427 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.1 tpp180 -70.62 -41.67 71.94 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.89 2.52 38.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.722 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.4 p -148.76 57.42 1.04 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.427 0.632 . . . . 0.0 109.54 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.5 pt -78.32 131.82 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.492 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -123.59 -48.12 1.94 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ptp 33.57 54.81 1.4 Allowed Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 125.049 1.34 . . . . 0.0 113.878 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.25 -177.65 1.8 Allowed 'Trans proline' 0 N--CA 1.513 2.668 0 C-N-CA 122.726 2.284 . . . . 0.0 112.114 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.29 -39.95 89.7 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.647 0.737 . . . . 0.0 109.45 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -76.05 -6.38 50.84 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.613 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.93 87.31 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -167.51 170.83 10.91 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.44 -37.55 86.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 111.979 -2.373 . . . . 0.0 107.481 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -62.81 -36.65 83.87 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.135 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.69 -35.0 75.2 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.27 -36.93 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 118.083 0.401 . . . . 0.0 110.786 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -46.96 87.1 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 124.393 1.058 . . . . 0.0 110.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.96 -49.04 79.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.647 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.2 -50.61 63.26 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.913 0.758 . . . . 0.0 112.926 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.02 -46.27 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 123.81 0.694 . . . . 0.0 110.154 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -64.08 -42.32 97.0 Favored 'General case' 0 C--O 1.219 -0.526 0 O-C-N 123.922 0.764 . . . . 0.0 110.787 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -56.76 -46.58 81.35 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.539 0.525 . . . . 0.0 111.017 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.75 -52.22 58.2 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.928 0.767 . . . . 0.0 110.118 179.131 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.08 -43.59 87.12 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.675 0.609 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.64 -42.09 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 124.245 0.965 . . . . 0.0 108.662 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.34 -41.64 97.38 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.42 HD13 ' SG ' ' A' ' 41' ' ' CYS . 11.1 mm -64.8 -43.48 96.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.44 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 84.3 m -56.21 -45.37 79.91 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.387 0.613 . . . . 0.0 109.985 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -65.75 -36.2 82.9 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.418 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.03 -30.36 61.05 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.126 0.891 . . . . 0.0 111.829 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.01 -42.75 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.25 -37.39 87.04 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 123.645 0.59 . . . . 0.0 109.942 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.86 -43.12 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -64.08 -42.83 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.11 -42.65 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.1 mmm -61.22 -55.93 26.43 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 53.1 tp -50.14 -41.09 48.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.216 0.948 . . . . 0.0 110.272 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.343 177.863 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.74 -38.21 90.25 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.56 -42.51 95.63 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.383 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.85 -44.23 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.957 0.786 . . . . 0.0 109.118 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.08 -44.43 94.77 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.098 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.23 -40.57 97.82 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 124.021 0.826 . . . . 0.0 109.228 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.62 -41.76 97.92 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m -62.35 -46.21 89.71 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.61 -41.96 99.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.091 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 70.1 m -65.56 -38.72 90.37 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.976 0.798 . . . . 0.0 110.272 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.6 92.61 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.21 -42.56 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -60.0 -40.9 90.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.487 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -41.34 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.673 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.55 4.46 21.29 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.95 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -148.31 56.69 1.06 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 pt -77.56 131.64 34.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.788 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -123.38 -48.22 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptp 34.02 54.98 1.59 Allowed Pre-proline 0 CA--C 1.564 1.49 0 C-N-CA 125.067 1.347 . . . . 0.0 113.868 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.57 -177.36 1.78 Allowed 'Trans proline' 0 N--CA 1.514 2.72 0 C-N-CA 122.732 2.288 . . . . 0.0 111.93 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.55 -40.56 89.12 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -74.54 -7.63 53.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.522 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.44 84.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -166.32 171.88 11.63 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.84 -37.27 86.77 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.297 -2.229 . . . . 0.0 107.146 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.25 -36.75 84.68 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.559 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.14 -34.62 75.3 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.518 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.97 -37.73 77.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 123.134 0.271 . . . . 0.0 110.586 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.69 -46.36 89.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.722 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.6 tp -59.03 -49.53 77.56 Favored 'General case' 0 CA--C 1.524 -0.056 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.664 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.59 -50.36 65.38 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.6 -45.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.16 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.34 -41.96 96.5 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 124.032 0.833 . . . . 0.0 110.309 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.83 -47.04 81.22 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.636 0.585 . . . . 0.0 111.294 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -48.79 71.92 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.612 0.57 . . . . 0.0 110.3 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.34 -42.57 95.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.945 0.778 . . . . 0.0 110.583 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.89 -42.79 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.18 -42.03 99.29 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 72.3 m -57.38 -45.51 84.39 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.69 -36.65 84.95 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 124.287 0.992 . . . . 0.0 110.043 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.03 -29.78 62.1 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.99 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.38 -39.46 85.63 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.48 -42.77 97.38 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.65 -37.69 88.27 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.627 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -63.45 -42.21 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 22.8 mm -64.64 -42.66 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.64 -42.92 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 71.3 mmm -65.08 -37.85 88.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.004 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.57 -41.87 96.02 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.398 178.093 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.09 -38.23 90.07 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.03 -42.06 94.7 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.188 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -44.13 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 124.04 0.837 . . . . 0.0 109.074 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -58.91 -46.18 88.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.203 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -62.64 -40.38 96.82 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.369 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -42.23 98.54 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -62.79 -46.18 89.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.45 -42.04 99.17 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.987 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -65.6 -38.75 90.37 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 124.166 0.916 . . . . 0.0 110.178 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.77 93.83 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.25 -42.57 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -60.0 -40.84 90.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.417 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.32 74.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.632 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.58 4.53 21.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.91 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -148.14 56.51 1.06 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 pt -77.6 131.74 34.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.816 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -123.64 -47.99 1.94 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptp 33.65 55.24 1.48 Allowed Pre-proline 0 CA--C 1.563 1.47 0 C-N-CA 125.087 1.355 . . . . 0.0 113.952 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.23 -176.79 1.45 Allowed 'Trans proline' 0 N--CA 1.514 2.729 0 C-N-CA 122.699 2.266 . . . . 0.0 112.026 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.13 -39.93 86.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.466 0.65 . . . . 0.0 109.385 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -75.63 -6.78 52.1 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.844 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.96 86.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -166.97 171.19 11.39 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.226 1.488 . . . . 0.0 114.098 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.74 -36.55 84.23 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 111.835 -2.439 . . . . 0.0 107.185 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -63.25 -37.21 86.37 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 114.057 -1.429 . . . . 0.0 111.577 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.29 -35.07 74.73 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.816 0.697 . . . . 0.0 110.757 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.02 -38.14 75.64 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 123.308 0.38 . . . . 0.0 110.949 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.46 -46.29 89.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.104 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.85 -48.8 80.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.744 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.04 -50.72 63.22 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.27 -45.84 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.176 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.91 -41.6 95.44 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 123.78 0.675 . . . . 0.0 110.17 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -56.82 -46.74 81.46 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.829 0.705 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -50.01 67.33 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 123.515 0.509 . . . . 0.0 110.076 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -59.4 -41.7 90.05 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.424 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.64 -42.05 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.66 -41.96 99.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.37 -43.47 98.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 76.3 m -59.1 -44.93 91.98 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.7 -38.92 92.63 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.469 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.95 -51.63 56.77 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.308 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.01 -38.56 57.26 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.259 0.936 . . . . 0.0 110.523 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.53 -43.75 98.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -65.54 -34.78 79.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.003 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.07 -42.32 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 23.5 mm -64.61 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.47 -42.71 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 70.5 mmm -64.55 -38.64 91.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.919 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.41 -41.59 96.54 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.338 178.125 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.61 -38.25 90.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.9 -42.36 94.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.337 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 124.071 0.857 . . . . 0.0 109.115 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.67 -44.06 96.94 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.085 0.865 . . . . 0.0 109.172 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -63.25 -40.42 97.38 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.213 0.946 . . . . 0.0 109.173 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -42.0 98.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.887 0.742 . . . . 0.0 109.165 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -62.58 -46.23 89.29 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.59 -41.97 99.29 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.249 0.968 . . . . 0.0 109.91 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -65.78 -38.52 89.24 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.067 0.855 . . . . 0.0 110.231 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.77 92.9 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -42.75 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.187 0.929 . . . . 0.0 108.604 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -59.9 -40.97 90.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -41.48 73.84 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.604 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.14 4.75 18.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.928 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -144.91 55.63 1.24 Allowed 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 48.5 pt -77.06 131.68 34.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.805 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -123.81 -48.22 1.91 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.189 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.0 ptp 33.7 55.21 1.5 Allowed Pre-proline 0 CA--C 1.563 1.456 0 C-N-CA 124.948 1.299 . . . . 0.0 113.993 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -69.76 -177.03 1.69 Allowed 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.597 2.198 . . . . 0.0 112.115 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.45 -40.18 89.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.398 0.618 . . . . 0.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -75.8 -5.93 48.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.021 -1.445 . . . . 0.0 112.895 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.43 86.32 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -167.81 170.76 10.52 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -61.83 -37.63 85.17 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 112.197 -2.274 . . . . 0.0 107.239 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -64.05 -35.5 80.93 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.345 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.89 -35.36 76.44 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.01 0.819 . . . . 0.0 110.466 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.7 -37.41 76.03 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.887 0.312 . . . . 0.0 110.522 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.13 -46.71 87.63 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.039 0.837 . . . . 0.0 110.057 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 tp -59.41 -48.62 80.92 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.52 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.12 -50.53 63.68 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.37 -45.8 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.77 -42.06 97.87 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.764 0.665 . . . . 0.0 110.248 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -57.55 -47.19 82.71 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.573 0.546 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -63.76 -53.02 57.6 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' E' ' 40' ' ' ILE . 69.2 mt -52.41 -72.02 0.06 Allowed 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.6 mt -34.42 -43.95 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.78 0 O-C-N 124.614 1.196 . . . . 0.0 110.701 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.6 -44.71 93.19 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' E' ' 37' ' ' LEU . 24.9 mm -63.03 -43.07 98.83 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.932 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 m -57.59 -45.56 85.12 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.68 -36.78 85.39 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 124.723 1.264 . . . . 0.0 109.431 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.2 -52.34 48.93 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.072 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.82 -38.83 51.03 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.679 0.672 . . . . 0.0 109.899 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.09 -44.03 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.3 -34.96 79.57 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 123.433 0.458 . . . . 0.0 110.097 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.28 -42.46 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.66 -42.27 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 57.1 t -61.78 -42.21 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 66.7 mmm -61.04 -56.76 17.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 54.1 tp -49.68 -39.98 38.51 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.202 0.939 . . . . 0.0 110.34 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.931 178.258 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.7 -38.21 74.82 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.01 -41.24 95.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.842 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.73 -44.99 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.88 -40.06 91.25 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.347 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.83 -40.38 92.58 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -43.13 99.49 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.964 0.79 . . . . 0.0 108.924 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -62.79 -46.13 89.42 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.377 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.8 -41.28 99.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.201 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -63.58 -40.4 96.86 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.811 0.694 . . . . 0.0 110.262 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.32 93.76 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.784 0.678 . . . . 0.0 109.594 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.82 -42.64 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 124.08 0.863 . . . . 0.0 109.018 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -60.06 -43.01 95.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.425 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -68.04 -43.62 78.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.501 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.53 112.08 1.67 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.148 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -50.92 116.14 1.84 Allowed 'General case' 0 C--O 1.237 0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.819 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.1 pt -74.05 -165.26 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.797 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -77.66 106.49 9.5 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 mtt 59.28 68.44 1.59 Allowed Pre-proline 0 CA--C 1.556 1.201 0 O-C-N 123.888 0.742 . . . . 0.0 109.853 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.26 148.41 55.46 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.567 2.178 . . . . 0.0 112.23 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.26 -25.93 67.11 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.911 0.757 . . . . 0.0 108.995 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.12 -47.47 83.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.7 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.48 84.2 2.09 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.972 1.42 . . . . 0.0 108.592 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 HH11 HD22 ' E' ' 30' ' ' ASN . 8.2 tmm_? -88.08 -74.93 0.44 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.987 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -52.0 -39.27 59.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 123.819 0.699 . . . . 0.0 110.363 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.87 -46.58 90.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 109.665 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.68 -42.17 99.49 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -36.17 83.16 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.86 0.3 . . . . 0.0 110.309 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.428 HD22 HH11 ' B' ' 25' ' ' ARG . 97.8 m-20 -55.49 -47.09 76.73 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.86 -44.39 96.26 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.496 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.21 -47.72 81.32 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.903 0.752 . . . . 0.0 112.379 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.434 ' N ' HD22 ' E' ' 34' ' ' ASN . 70.4 mt -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.458 HD22 ' N ' ' B' ' 33' ' ' ILE . 11.9 m120 -63.42 -44.62 94.08 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.796 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -60.82 -45.61 93.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.009 0.818 . . . . 0.0 110.652 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -58.95 -53.99 52.15 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' ILE . 44.0 mt -52.31 -73.35 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -32.05 -43.72 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.17 -44.35 96.8 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 122.092 -0.38 . . . . 0.0 110.483 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' LEU . 6.1 mm -63.05 -41.77 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 23.8 m -55.81 -49.57 72.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.11 -38.8 92.36 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.757 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.64 -26.28 57.61 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.631 0.582 . . . . 0.0 112.129 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.69 -37.39 73.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.77 -42.07 94.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.23 -38.81 90.64 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.748 0.655 . . . . 0.0 109.57 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.4 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.15 -43.08 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 123.632 0.582 . . . . 0.0 109.676 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.0 -29.03 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 124.001 0.813 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.2 mmm -63.74 -45.82 88.15 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.74 -40.78 97.57 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.765 0.666 . . . . 0.0 110.344 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.84 0 O-C-N 124.124 0.89 . . . . 0.0 109.807 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -58.37 -38.12 76.62 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.28 -41.28 94.33 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.909 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.51 -45.46 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -65.16 -40.29 94.14 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.506 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.11 -40.41 93.66 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -43.16 99.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.79 -46.06 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.272 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.77 -41.6 99.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.086 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -63.51 -40.41 96.98 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.065 0.853 . . . . 0.0 110.261 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.38 94.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.95 -42.59 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.91 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.18 -42.89 95.95 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.767 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -67.9 -43.32 79.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.867 0.729 . . . . 0.0 109.699 178.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.21 113.34 2.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.55 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -52.89 116.99 2.63 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.483 1.115 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 42.0 pt -75.1 -166.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.755 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -76.61 104.13 6.95 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mtt 60.02 69.65 1.18 Allowed Pre-proline 0 CA--C 1.553 1.084 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.734 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.92 148.49 51.63 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.818 2.346 . . . . 0.0 112.596 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.73 -27.1 67.35 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.183 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.24 -45.87 89.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.992 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.66 81.94 1.68 Allowed 'General case' 0 C--N 1.347 0.497 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.769 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.428 HH11 HD22 ' A' ' 30' ' ' ASN . 8.1 tmm_? -87.81 -74.41 0.45 Allowed 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.638 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.05 -38.47 62.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 123.943 0.777 . . . . 0.0 110.51 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.05 -46.9 88.81 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.491 0.495 . . . . 0.0 109.747 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.31 -41.67 98.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -37.16 86.72 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -55.7 -47.28 77.08 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.77 -44.42 96.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 124.675 1.234 . . . . 0.0 110.341 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.94 -48.6 78.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.029 0.831 . . . . 0.0 112.155 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.458 ' N ' HD22 ' A' ' 34' ' ' ASN . 77.9 mt -63.45 -45.42 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.629 0.581 . . . . 0.0 109.571 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.441 HD22 ' N ' ' C' ' 33' ' ' ILE . 11.3 m120 -62.89 -44.95 94.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.742 0.651 . . . . 0.0 110.144 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.66 -47.19 86.47 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.981 0.8 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.919 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -61.66 -37.95 85.94 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 40' ' ' ILE . 33.3 mt -65.96 -72.07 0.17 Allowed 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 175.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -31.92 -41.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 125.078 1.486 . . . . 0.0 110.88 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.18 -44.89 95.58 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.574 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.0 mm -63.54 -41.66 93.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 123.461 0.704 . . . . 0.0 109.127 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 21.9 m -55.18 -49.67 71.31 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.5 -40.42 97.04 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.472 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -73.86 -26.79 60.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.146 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.15 -37.86 72.22 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -41.84 94.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.16 -39.29 92.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.791 0.682 . . . . 0.0 109.673 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.22 -43.4 98.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.76 -43.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.74 -30.48 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 123.8 0.687 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.2 mmm -63.47 -45.26 91.59 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.76 -40.85 97.71 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.821 0.701 . . . . 0.0 110.535 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 117.457 -1.258 . . . . 0.0 109.719 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.26 -37.84 78.63 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.13 -41.17 95.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.178 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.65 -45.82 96.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.047 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -64.49 -40.54 95.86 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.526 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.32 -40.42 94.16 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -43.03 99.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -62.66 -46.24 89.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.59 -41.66 99.1 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.27 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -63.36 -40.43 97.24 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.148 0.905 . . . . 0.0 110.333 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.49 93.45 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.705 0.628 . . . . 0.0 109.834 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.82 -42.69 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.958 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.438 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -59.84 -42.81 94.42 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.438 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -68.33 -43.42 77.56 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.647 178.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.63 112.82 1.95 Allowed 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.604 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -54.31 117.87 3.64 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 124.361 1.038 . . . . 0.0 110.784 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 pt -76.02 -165.05 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.709 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -77.98 106.27 9.73 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.0 mtt 59.45 68.42 1.56 Allowed Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.817 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -71.43 148.94 55.51 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.789 2.326 . . . . 0.0 112.58 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.35 -28.4 68.63 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.039 0.837 . . . . 0.0 108.88 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.79 -45.52 89.68 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.731 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.0 81.83 1.67 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.048 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -88.69 -72.85 0.52 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.706 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -53.61 -39.07 64.61 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.768 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -61.17 -46.38 90.73 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.355 0.409 . . . . 0.0 110.07 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.78 -42.21 99.6 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -37.72 88.39 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.001 0.188 . . . . 0.0 110.701 177.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.25 -46.15 79.74 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.92 -44.31 93.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.444 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -62.63 -48.02 81.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.954 0.784 . . . . 0.0 112.537 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.441 ' N ' HD22 ' B' ' 34' ' ' ASN . 78.3 mt -63.65 -45.27 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.453 HD22 ' N ' ' D' ' 33' ' ' ILE . 10.9 m120 -63.29 -44.28 95.49 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.798 0.686 . . . . 0.0 110.026 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -61.05 -46.2 91.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.79 0.681 . . . . 0.0 110.863 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -59.29 -53.43 58.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' C' ' 40' ' ' ILE . 44.0 mt -52.37 -73.21 0.04 OUTLIER 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -33.33 -44.01 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.837 0 O-C-N 124.077 0.861 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 mt -61.3 -44.2 97.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' C' ' 37' ' ' LEU . 4.8 mm -62.99 -42.03 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.0 m -55.92 -48.48 75.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -64.03 -39.9 95.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.838 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.98 -26.72 59.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.908 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.21 -38.43 75.28 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.05 -41.75 94.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.37 -38.48 89.72 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 58.9 mt -63.45 -43.33 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -63.2 -42.99 98.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.22 -30.43 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.691 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 86.9 mmm -63.63 -45.22 91.25 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.92 -40.53 96.69 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.7 0.625 . . . . 0.0 110.581 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 O-C-N 123.585 0.553 . . . . 0.0 110.062 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.37 -37.9 79.12 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.45 -41.22 93.66 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.034 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.016 0.823 . . . . 0.0 109.101 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -64.75 -40.56 95.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.529 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.23 -40.4 93.88 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -43.15 99.45 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.71 -46.03 90.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.174 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -62.95 -41.2 99.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.172 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -63.88 -40.35 96.34 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.003 0.814 . . . . 0.0 110.391 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.35 93.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.51 0.506 . . . . 0.0 109.674 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.75 -42.68 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.979 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.418 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.08 -42.87 95.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.751 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.418 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -68.3 -43.49 77.55 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.98 0.8 . . . . 0.0 109.641 178.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.23 111.53 1.69 Allowed 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.394 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.6 p -51.64 116.78 2.27 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 124.352 1.033 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.61 -165.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.958 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -77.84 107.44 10.35 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtt 58.54 67.9 1.94 Allowed Pre-proline 0 CA--C 1.557 1.239 0 O-C-N 123.834 0.709 . . . . 0.0 109.884 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.41 148.77 55.29 Favored 'Trans proline' 0 N--CA 1.502 1.983 0 C-N-CA 122.667 2.244 . . . . 0.0 112.328 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.28 -25.64 66.96 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.063 0.852 . . . . 0.0 109.012 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -58.95 -48.12 82.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.508 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.07 86.31 2.46 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.919 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -90.57 -73.81 0.52 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.263 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.43 -39.48 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.736 0.647 . . . . 0.0 110.471 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.87 -46.92 88.7 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.272 0.983 . . . . 0.0 110.041 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.93 -42.4 99.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.08 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -36.65 84.45 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 122.247 0.219 . . . . 0.0 110.692 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . 0.448 HD22 HH11 ' E' ' 25' ' ' ARG . 95.2 m-20 -57.5 -45.65 84.69 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.94 -44.69 92.09 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 124.58 1.175 . . . . 0.0 110.066 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.89 -48.47 78.84 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.963 0.789 . . . . 0.0 111.93 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.453 ' N ' HD22 ' C' ' 34' ' ' ASN . 75.6 mt -63.43 -46.52 95.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 O-C-N 123.76 0.662 . . . . 0.0 109.382 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.401 HD22 ' N ' ' E' ' 33' ' ' ILE . 9.5 m120 -61.99 -44.16 97.33 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 124.201 0.938 . . . . 0.0 110.043 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -60.73 -45.32 94.73 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.78 0.675 . . . . 0.0 110.612 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -59.73 -54.17 49.42 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' D' ' 40' ' ' ILE . 16.9 mt -51.31 -72.82 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.24 -43.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 125.2 1.563 . . . . 0.0 110.933 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.42 -44.52 96.24 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' D' ' 37' ' ' LEU . 4.6 mm -63.5 -41.03 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.974 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 33.5 m -57.93 -47.1 83.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.803 0.689 . . . . 0.0 109.48 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.29 -41.35 96.92 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.335 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.23 -51.01 63.63 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.63 0.581 . . . . 0.0 109.454 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.46 -37.69 50.09 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.045 0.538 . . . . 0.0 110.196 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.57 -42.74 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.26 -37.67 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.42 -43.05 98.3 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.97 -43.07 98.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.018 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.82 -27.88 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 123.974 0.796 . . . . 0.0 111.277 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.28 -45.54 90.99 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -40.69 97.87 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.168 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.99 -38.22 75.69 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.26 -41.06 94.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.843 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.82 -45.16 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 123.904 0.752 . . . . 0.0 109.228 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.36 -40.25 93.35 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 123.929 0.768 . . . . 0.0 109.405 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.01 -40.34 93.19 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -43.21 99.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 m -62.84 -45.97 90.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.334 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.86 -41.31 99.33 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.182 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -63.71 -40.32 96.48 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.994 0.809 . . . . 0.0 110.22 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.23 94.56 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.95 -42.73 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.016 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.428 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.17 -42.85 95.84 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.714 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.428 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -68.04 -43.44 78.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.701 178.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.84 112.14 1.6 Allowed 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.422 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 15.3 p -51.17 115.98 1.81 Allowed 'General case' 0 C--O 1.236 0.365 0 O-C-N 124.21 0.944 . . . . 0.0 110.76 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.01 -165.19 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.864 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -77.63 106.62 9.54 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mtt 59.15 68.75 1.52 Allowed Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 123.944 0.777 . . . . 0.0 109.798 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -71.88 148.33 51.56 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.451 2.101 . . . . 0.0 112.334 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.15 -26.01 67.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.208 0.943 . . . . 0.0 109.034 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -58.25 -48.5 80.2 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.461 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.17 85.77 2.33 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.97 1.419 . . . . 0.0 108.572 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.448 HH11 HD22 ' D' ' 30' ' ' ASN . 8.1 tmm_? -90.26 -74.82 0.48 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.63 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.98 -39.79 56.35 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.564 0.346 . . . . 0.0 110.84 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.21 -45.77 92.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.288 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.91 -42.21 97.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.58 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -35.7 81.95 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.924 0.329 . . . . 0.0 110.334 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . 0.447 HD22 HH11 ' A' ' 25' ' ' ARG . 98.1 m-20 -57.24 -46.4 83.03 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.52 -44.22 94.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.635 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -62.35 -49.29 76.17 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.958 0.786 . . . . 0.0 112.289 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.402 HD13 HG22 ' E' ' 33' ' ' ILE . 76.8 mt -64.07 -44.74 97.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 123.465 0.478 . . . . 0.0 109.981 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.434 HD22 ' N ' ' A' ' 33' ' ' ILE . 10.3 m120 -61.63 -44.64 96.61 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.874 0.734 . . . . 0.0 109.465 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -60.6 -45.25 94.69 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.81 0.694 . . . . 0.0 110.804 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.974 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -59.81 -55.19 37.26 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 121.27 0.557 . . . . 0.0 109.843 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -56.89 -44.33 82.18 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.2 0.6 . . . . 0.0 110.458 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -58.73 -40.83 80.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.142 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.86 -40.5 96.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.39 -42.29 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.916 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 57.9 m -57.68 -47.51 82.11 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.37 -43.64 97.03 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.149 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 -50.18 64.19 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.54 -37.17 37.89 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 118.198 0.454 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.31 -43.31 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.25 -35.56 81.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.587 0.554 . . . . 0.0 109.634 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.06 -43.65 99.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 mm -63.55 -43.0 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.75 -28.81 43.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -63.21 -46.53 86.59 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.17 -40.98 99.08 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.94 0.775 . . . . 0.0 110.52 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.03 -39.55 93.52 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 123.625 0.578 . . . . 0.0 109.54 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -65.3 -43.31 91.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.32 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.2 -46.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.64 -46.27 90.5 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.94 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HH ' HH22 ' A' ' 13' ' ' ARG . 90.6 t80 -61.37 -41.18 96.66 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 124.02 0.825 . . . . 0.0 109.451 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.33 -45.37 94.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.37 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.77 -46.61 87.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.786 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.42 -46.02 91.86 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -62.78 -41.1 99.09 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.221 0.95 . . . . 0.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.17 76.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.822 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.61 -42.83 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.147 0.904 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.494 HH22 ' HH ' ' A' ' 6' ' ' TYR . 57.8 ttp180 -55.61 -45.78 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.488 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -76.79 -48.32 18.95 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.734 0.646 . . . . 0.0 110.04 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 100.31 0.41 Allowed 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.121 0.888 . . . . 0.0 111.918 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 p -43.07 95.53 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.816 1.647 . . . . 0.0 114.813 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -140.68 113.06 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.43 21.09 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 108.83 1.31 Allowed Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.415 0.552 . . . . 0.0 109.752 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.67 123.02 10.0 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 121.967 1.778 . . . . 0.0 112.726 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.63 -54.97 17.58 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.893 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -170.38 -72.73 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.046 -1.434 . . . . 0.0 107.235 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.98 0.23 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -95.88 -139.77 0.26 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.687 -1.597 . . . . 0.0 112.339 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -48.65 78.22 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.76 -48.07 82.47 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.632 0.583 . . . . 0.0 109.477 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.61 -36.3 83.79 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 124.777 1.298 . . . . 0.0 110.088 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' HD22 ' E' ' 30' ' ' ASN . 13.9 tt0 -65.84 -39.88 91.23 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.442 HD22 ' N ' ' B' ' 29' ' ' GLN . 3.6 m120 -62.69 -45.09 94.39 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.2 -43.0 99.4 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.179 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -78.77 -60.27 2.45 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD22 ' E' ' 34' ' ' ASN . 56.0 mt -62.7 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.522 -175.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.419 HD22 ' N ' ' B' ' 33' ' ' ILE . 32.6 m120 -61.33 -40.37 93.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.272 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.86 -44.36 82.12 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.202 0.939 . . . . 0.0 109.642 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -67.45 -50.95 56.95 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.379 1.049 . . . . 0.0 110.749 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -56.36 -45.09 80.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.445 0.465 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.1 -44.44 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 126.161 2.163 . . . . 0.0 108.289 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.03 -43.1 99.61 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HD13 ' SG ' ' E' ' 41' ' ' CYS . 1.7 mm -63.18 -42.85 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 71.3 m -57.47 -47.94 80.52 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.605 0.565 . . . . 0.0 109.489 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.0 -39.78 95.8 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.658 1.224 . . . . 0.0 110.874 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -75.33 -24.88 57.43 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.586 0.554 . . . . 0.0 111.513 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.21 -34.78 68.61 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.45 -41.38 91.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.19 -40.51 96.29 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.7 mt -64.36 -43.03 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 mm -61.81 -45.53 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 124.283 0.989 . . . . 0.0 110.223 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.19 -45.98 97.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.2 mmm -66.52 -32.21 73.43 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.086 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.56 -39.23 74.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.009 177.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.96 -39.57 94.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.709 0.631 . . . . 0.0 109.324 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.14 -42.82 93.47 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.336 1.022 . . . . 0.0 109.412 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.53 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.114 0.884 . . . . 0.0 108.755 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.36 -45.69 92.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 124.348 1.03 . . . . 0.0 110.012 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.501 ' HH ' HH22 ' B' ' 13' ' ' ARG . 92.8 t80 -61.18 -41.12 96.23 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.881 0.738 . . . . 0.0 109.538 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.76 -44.56 96.65 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.65 -46.33 88.72 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.805 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -63.01 -43.36 98.99 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.502 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -64.43 -36.79 85.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.952 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.5 57.5 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.95 -45.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.089 0.868 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.501 HH22 ' HH ' ' B' ' 6' ' ' TYR . 26.8 ptt180 -60.93 -42.17 97.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.253 0.345 . . . . 0.0 110.537 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -71.76 -46.18 59.25 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 123.63 0.581 . . . . 0.0 109.632 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 97.64 0.75 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.035 0.834 . . . . 0.0 111.228 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -42.51 93.8 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.768 1.627 . . . . 0.0 114.976 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -140.1 112.69 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 20.89 0.05 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 105.34 0.51 Allowed Pre-proline 0 N--CA 1.484 1.241 0 CA-C-N 118.472 0.578 . . . . 0.0 110.736 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.17 121.05 9.18 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 122.478 2.118 . . . . 0.0 112.8 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.26 -55.35 10.77 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -170.51 -74.92 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 113.848 -1.524 . . . . 0.0 107.395 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.29 28.52 0.29 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -96.03 -139.45 0.26 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.23 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -48.7 75.42 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 125.182 1.551 . . . . 0.0 114.119 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.2 -48.34 81.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.662 0.601 . . . . 0.0 109.522 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.66 -34.98 79.47 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.235 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.442 ' N ' HD22 ' A' ' 30' ' ' ASN . 14.2 tt0 -66.28 -40.06 89.81 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.446 HD22 ' N ' ' C' ' 29' ' ' GLN . 3.6 m120 -62.68 -44.78 95.38 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.79 -42.58 97.7 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.045 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.86 -60.01 2.51 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.419 ' N ' HD22 ' A' ' 34' ' ' ASN . 53.6 mt -62.34 -46.74 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.12 -175.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -61.31 -40.27 93.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.107 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -56.87 -44.41 82.2 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.979 0.8 . . . . 0.0 109.663 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.933 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -67.77 -51.63 46.76 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.483 178.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.412 ' HB3' ' SG ' ' C' ' 36' ' ' CYS . 46.0 mt -55.88 -43.18 76.95 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -42.46 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.113 1.508 . . . . 0.0 108.574 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.99 -43.71 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 123.62 0.575 . . . . 0.0 109.875 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.412 HD13 ' SG ' ' A' ' 41' ' ' CYS . 2.1 mm -62.59 -43.45 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.7 m -57.54 -48.69 78.62 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -62.5 -41.75 99.03 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 124.64 1.212 . . . . 0.0 110.72 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.95 -49.79 66.65 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.99 -34.33 42.13 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.012 0.369 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 60.1 mt -62.88 -42.56 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.16 -37.97 89.37 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.72 -43.92 98.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mm -61.73 -44.79 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 124.16 0.912 . . . . 0.0 110.346 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 82.2 mmm -66.88 -32.31 73.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.923 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.78 -40.31 84.01 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.039 177.712 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.58 -38.46 89.58 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.71 -43.04 90.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.195 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -44.79 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -61.26 -48.38 81.68 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.96 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.491 ' HH ' HH22 ' C' ' 13' ' ' ARG . 83.6 t80 -60.33 -40.25 89.96 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 124.185 0.928 . . . . 0.0 109.996 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.17 -45.91 91.3 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.718 0.637 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -63.16 -46.98 84.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -61.54 -44.69 96.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.464 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t -62.38 -42.84 99.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.127 0.892 . . . . 0.0 110.638 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.85 78.03 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.96 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.75 -42.95 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.042 0.839 . . . . 0.0 110.111 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.491 HH22 ' HH ' ' C' ' 6' ' ' TYR . 57.5 ttp180 -55.85 -43.85 77.47 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.257 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -76.61 -64.91 1.01 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 103.67 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.357 1.035 . . . . 0.0 112.825 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 36.1 p -42.34 94.53 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.882 1.673 . . . . 0.0 115.118 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -140.49 111.89 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 19.15 0.05 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.83 105.52 0.54 Allowed Pre-proline 0 N--CA 1.479 0.993 0 CA-C-N 118.481 0.582 . . . . 0.0 111.122 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.54 122.24 11.16 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.213 1.942 . . . . 0.0 113.278 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -70.48 -55.59 8.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -169.94 -75.7 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.732 -1.576 . . . . 0.0 107.011 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.56 29.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -97.88 -140.9 0.3 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.444 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -48.56 74.76 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.18 -48.23 80.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.15 0.5 . . . . 0.0 109.98 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.45 -34.27 77.55 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.446 ' N ' HD22 ' B' ' 30' ' ' ASN . 11.4 tt0 -67.27 -39.7 86.08 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . 0.447 HD22 ' N ' ' D' ' 29' ' ' GLN . 3.6 m120 -62.24 -44.41 96.61 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.07 -42.2 97.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.858 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -80.04 -59.44 2.72 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 118.82 -0.61 . . . . 0.0 112.299 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.408 HD22 ' N ' ' D' ' 33' ' ' ILE . 32.6 m120 -60.88 -40.36 92.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.992 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -57.57 -44.14 85.09 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.705 0.628 . . . . 0.0 109.393 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -65.05 -57.35 8.89 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 123.664 0.602 . . . . 0.0 109.813 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' C' ' 40' ' ' ILE . 37.9 mt -46.55 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -32.76 -46.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 124.962 1.414 . . . . 0.0 110.456 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.87 -44.72 92.23 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 120.536 0.207 . . . . 0.0 111.384 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.469 HD13 ' SG ' ' B' ' 41' ' ' CYS . 2.6 mm -61.08 -43.27 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.1 m -56.8 -47.84 79.31 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.018 0.824 . . . . 0.0 109.309 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.57 -37.68 88.39 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.697 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.13 -26.64 56.55 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.415 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.75 -36.18 75.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.78 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.7 -41.07 97.11 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.63 -41.96 91.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -60.77 -45.44 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 123.766 0.667 . . . . 0.0 109.829 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.29 -45.86 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 76.0 mmm -65.91 -33.23 75.36 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.3 1.0 . . . . 0.0 111.32 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 41.5 tp -70.69 -38.74 73.71 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.544 0.75 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 177.422 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtp . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.32 -37.63 85.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.17 -42.83 93.32 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.324 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.42 -45.07 99.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.335 1.022 . . . . 0.0 108.507 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.13 -46.27 89.78 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 124.401 1.063 . . . . 0.0 109.884 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.498 ' HH ' HH22 ' D' ' 13' ' ' ARG . 90.1 t80 -61.24 -41.19 96.45 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.787 0.679 . . . . 0.0 109.743 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.42 -45.28 94.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.7 0.625 . . . . 0.0 109.319 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.82 -46.7 86.74 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -61.35 -45.92 92.38 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.357 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -62.7 -41.08 98.94 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.148 0.905 . . . . 0.0 111.182 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.78 77.95 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.789 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.77 -42.75 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 124.111 0.882 . . . . 0.0 110.139 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.498 HH22 ' HH ' ' D' ' 6' ' ' TYR . 57.9 ttp180 -55.6 -45.92 77.37 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.254 0.971 . . . . 0.0 110.529 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -76.72 -48.5 18.63 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.666 0.604 . . . . 0.0 110.205 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.53 100.92 0.4 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.898 0.749 . . . . 0.0 111.954 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -42.71 95.08 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.897 1.679 . . . . 0.0 114.933 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 85.2 mt -140.11 113.0 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 20.89 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 108.81 1.32 Allowed Pre-proline 0 N--CA 1.479 1.02 0 CA-C-N 118.52 0.6 . . . . 0.0 109.672 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -68.45 123.35 10.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.074 1.849 . . . . 0.0 112.749 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.4 -55.17 17.06 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 124.361 1.038 . . . . 0.0 108.816 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -170.44 -72.3 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 107.404 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.7 27.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -96.62 -140.28 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.033 -1.44 . . . . 0.0 112.226 -176.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -49.95 70.41 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 125.204 1.565 . . . . 0.0 114.005 -176.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.76 -47.31 85.1 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.4 -33.69 76.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.047 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.447 ' N ' HD22 ' C' ' 30' ' ' ASN . 14.9 tt0 -68.16 -39.69 82.52 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . 0.445 HD22 ' N ' ' E' ' 29' ' ' GLN . 3.6 m120 -62.07 -44.55 96.43 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.07 -42.62 96.93 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.258 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -80.23 -59.86 2.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.408 ' N ' HD22 ' C' ' 34' ' ' ASN . 57.0 mt -62.66 -46.22 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.292 -175.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.405 HD22 ' N ' ' E' ' 33' ' ' ILE . 33.2 m120 -61.21 -41.1 96.24 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.555 0.616 . . . . 0.0 110.24 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.73 -43.84 81.06 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.829 0.705 . . . . 0.0 109.617 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -67.0 -53.23 33.44 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.634 0.584 . . . . 0.0 110.587 178.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 40.6 mt -55.26 -46.04 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.53 -42.96 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 125.27 1.607 . . . . 0.0 108.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.02 -42.5 99.82 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 123.549 0.531 . . . . 0.0 110.007 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.408 HD13 ' SG ' ' C' ' 41' ' ' CYS . 28.0 mm -64.68 -42.57 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 77.8 m -56.51 -47.85 78.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.69 -40.05 95.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.426 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.8 -25.36 56.3 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.492 0.495 . . . . 0.0 111.467 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.61 -34.65 70.04 Favored 'General case' 0 C--N 1.347 0.492 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.01 -41.13 89.84 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.75 -41.11 99.04 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.21 -43.03 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -61.9 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 123.965 0.791 . . . . 0.0 110.176 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.61 -45.65 96.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.673 0.608 . . . . 0.0 109.453 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.94 -32.62 74.23 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 124.3 1.0 . . . . 0.0 111.417 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.0 -39.21 72.56 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.214 -0.766 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.88 177.838 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.32 -39.29 92.27 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.37 -43.36 91.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.401 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.41 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 O-C-N 124.297 0.998 . . . . 0.0 108.35 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -46.01 91.46 Favored 'General case' 0 C--N 1.344 0.358 0 O-C-N 124.483 1.114 . . . . 0.0 109.86 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.433 ' HH ' HH22 ' E' ' 13' ' ' ARG . 91.1 t80 -61.28 -41.31 96.73 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.094 0.872 . . . . 0.0 109.616 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.58 -45.26 94.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.92 -46.51 87.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.729 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.74 -45.34 94.33 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.346 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -63.05 -41.22 99.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 124.212 0.945 . . . . 0.0 111.069 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.87 77.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.745 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.78 -42.75 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.141 0.901 . . . . 0.0 109.934 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.433 HH22 ' HH ' ' E' ' 6' ' ' TYR . 53.9 ttp180 -55.46 -44.01 76.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.183 0.927 . . . . 0.0 110.026 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -76.84 -66.1 0.86 Allowed 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.51 103.12 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.312 1.008 . . . . 0.0 112.915 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -42.16 95.18 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.9 1.68 . . . . 0.0 115.142 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 85.9 mt -141.3 111.41 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.05 21.24 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.99 105.5 0.54 Allowed Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 118.641 0.655 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.8 122.93 12.23 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 121.962 1.775 . . . . 0.0 113.211 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.62 -56.24 6.94 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -170.26 -73.45 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.723 -1.58 . . . . 0.0 107.109 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.54 28.47 0.23 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -96.02 -140.55 0.26 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.506 -1.224 . . . . 0.0 112.811 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -48.7 74.31 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 124.901 1.376 . . . . 0.0 114.09 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.25 -49.42 77.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.16 -37.32 87.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.272 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . 0.445 ' N ' HD22 ' D' ' 30' ' ' ASN . 12.9 tt0 -65.4 -39.46 92.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 123.051 0.219 . . . . 0.0 110.422 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 29' ' ' GLN . 3.5 m120 -62.52 -44.54 96.11 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.97 -42.49 97.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.707 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.54 -59.31 2.8 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . 0.405 ' N ' HD22 ' D' ' 34' ' ' ASN . 58.9 mt -64.11 -45.38 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.839 -175.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 33' ' ' ILE . 32.7 m120 -61.02 -40.52 93.89 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.664 0.665 . . . . 0.0 109.885 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -57.97 -44.27 86.97 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.869 0.731 . . . . 0.0 109.247 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.86 -55.33 17.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 118.177 -0.915 . . . . 0.0 109.713 178.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' E' ' 40' ' ' ILE . 36.9 mt -47.75 -73.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -32.97 -46.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 125.637 1.836 . . . . 0.0 110.116 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.38 -44.29 91.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 122.438 -0.164 . . . . 0.0 110.849 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.44 HD13 ' SG ' ' D' ' 41' ' ' CYS . 2.0 mm -61.66 -43.65 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.928 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 50.1 m -57.04 -46.95 82.03 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 123.617 0.573 . . . . 0.0 109.544 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.15 -39.1 93.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.323 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.64 -25.03 58.94 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.525 0.516 . . . . 0.0 111.456 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.05 -34.76 69.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.19 -41.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.45 -40.68 97.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.63 -42.73 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mm -61.57 -45.85 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.661 0.784 . . . . 0.0 110.046 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.55 -45.82 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 123.901 0.75 . . . . 0.0 109.412 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 79.6 mmm -66.22 -31.96 73.09 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.293 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 tp -71.14 -39.25 72.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.54 0.563 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.765 177.914 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.85 -40.74 98.4 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.784 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.469 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.86 -43.11 99.5 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.086 0.866 . . . . 0.0 109.587 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -62.42 -45.57 92.48 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.39 -42.96 99.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.027 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -64.59 -40.07 94.86 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.101 0.875 . . . . 0.0 110.713 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.5 93.87 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.89 -42.78 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 124.149 0.906 . . . . 0.0 108.896 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -59.34 -42.1 90.73 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.541 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.191 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -82.85 -58.72 2.76 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.7 mt -61.92 -47.1 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 118.923 -0.56 . . . . 0.0 112.503 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.76 -41.41 99.21 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.0 t80 -57.01 -45.72 82.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 123.289 0.368 . . . . 0.0 110.053 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -51.41 61.55 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.407 1.067 . . . . 0.0 110.182 179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' B' ' 33' ' ' ILE . 71.3 mt -58.64 -44.83 90.17 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 123.606 0.566 . . . . 0.0 111.16 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.28 -42.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.464 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.0 mt -63.27 -42.73 99.17 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG23 HD13 ' E' ' 44' ' ' LEU . 1.2 mm -63.87 -43.99 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 123.681 0.613 . . . . 0.0 109.533 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.7 m -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.6 mt -63.47 -39.06 93.45 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.549 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' LEU . 13.9 tp -73.31 -25.99 60.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.243 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.634 ' CD1' HD13 ' B' ' 40' ' ' ILE . 1.8 mt -73.56 -36.68 65.64 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 42' ' ' LEU . 58.5 mt -61.55 -41.14 89.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.699 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 C--O 1.238 0.464 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.85 -40.71 98.29 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.047 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.446 ' C ' HD13 ' B' ' 7' ' ' LEU . 3.2 tm? -62.03 -43.29 99.16 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.287 0.992 . . . . 0.0 109.552 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.16 -45.33 93.89 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.52 -42.99 99.88 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.172 0.92 . . . . 0.0 109.864 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -40.16 95.04 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.062 0.851 . . . . 0.0 110.609 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.49 94.48 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.871 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.91 -42.69 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.859 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.0 ttp180 -59.4 -42.2 91.19 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.36 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.392 0 O-C-N 123.904 0.753 . . . . 0.0 110.197 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -80.94 -59.42 2.68 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' B' ' 37' ' ' LEU . 61.9 mt -62.07 -48.08 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.97 -40.87 97.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.291 0.496 . . . . 0.0 110.623 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 56.1 t80 -57.65 -46.58 84.03 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 123.724 0.64 . . . . 0.0 109.797 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.03 -37.21 81.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.944 0.777 . . . . 0.0 112.307 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 39.9 mt -67.79 -46.6 71.5 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.669 0.747 . . . . 0.0 109.727 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.32 -42.19 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.824 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.3 mt -62.1 -42.85 99.63 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.53 0.518 . . . . 0.0 110.052 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 44' ' ' LEU . 1.1 mm -64.79 -43.29 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 80.0 m -58.01 -48.66 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.939 0.774 . . . . 0.0 109.795 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.0 mt -63.31 -39.98 96.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.465 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.4 tp -72.84 -25.05 60.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.21 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.618 HD13 HG23 ' C' ' 40' ' ' ILE . 1.6 mt -74.14 -36.06 64.13 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.8 mt -62.54 -41.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.349 0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.459 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -63.78 -40.23 96.18 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.811 0.694 . . . . 0.0 109.743 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.46 -42.13 99.26 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.165 0.916 . . . . 0.0 109.574 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.93 -46.29 88.49 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.77 -42.3 99.62 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 124.263 0.977 . . . . 0.0 109.91 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.019 0.928 . . . . 0.0 110.421 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.4 90.87 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.101 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -42.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.157 0.911 . . . . 0.0 109.041 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.462 HH21 HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -59.58 -41.71 90.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.397 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.462 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.41 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.306 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 119.948 -0.072 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -82.04 -59.23 2.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 57.3 mt -62.49 -46.78 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.91 -41.46 96.15 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 57.6 t80 -58.75 -45.53 89.5 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 123.437 0.461 . . . . 0.0 109.842 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.81 -53.29 56.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.318 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.443 HD11 HG23 ' D' ' 33' ' ' ILE . 61.7 mt -53.3 -74.47 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -32.73 -45.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 124.746 1.279 . . . . 0.0 111.666 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 24.9 mt -61.95 -47.11 86.36 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.618 HG23 HD13 ' B' ' 44' ' ' LEU . 49.4 mt -64.31 -41.93 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.122 0.889 . . . . 0.0 109.699 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 57.8 m -55.43 -47.95 75.18 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' C' ' 45' ' ' ILE . 50.3 mt -64.08 -37.81 88.78 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.546 1.154 . . . . 0.0 110.742 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.0 tp -73.59 -26.86 61.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.531 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.612 ' CD1' HD13 ' D' ' 40' ' ' ILE . 1.0 OUTLIER -71.72 -38.01 70.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.205 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' C' ' 42' ' ' LEU . 63.4 mt -61.4 -41.12 88.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.94 -42.92 99.15 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.705 0.628 . . . . 0.0 109.409 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.171 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.03 -40.49 97.9 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 123.927 0.767 . . . . 0.0 109.778 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.436 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.2 tm? -62.09 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.765 0.665 . . . . 0.0 109.473 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -61.87 -45.66 92.79 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.42 -43.06 99.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.961 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.38 -40.21 95.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.077 0.861 . . . . 0.0 110.727 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.3 93.77 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.729 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.95 -42.74 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.845 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.452 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -59.16 -42.08 89.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.596 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.452 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.242 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -81.29 -59.54 2.6 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.455 HG22 ' CD1' ' D' ' 37' ' ' LEU . 60.7 mt -62.21 -47.41 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.543 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.92 -41.23 97.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.595 0.634 . . . . 0.0 110.517 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 56.0 t80 -57.36 -46.07 83.73 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -68.3 -38.24 81.42 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.015 0.822 . . . . 0.0 111.908 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' E' ' 33' ' ' ILE . 42.3 mt -67.39 -44.92 77.72 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.858 0.837 . . . . 0.0 110.228 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.53 -42.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.588 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.9 mt -60.56 -44.65 95.91 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' C' ' 44' ' ' LEU . 1.1 mm -64.04 -42.96 97.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.9 m -58.28 -48.25 81.06 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 124.034 0.833 . . . . 0.0 109.379 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.5 mt -63.51 -39.7 95.12 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.534 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' C' ' 44' ' ' LEU . 13.8 tp -73.6 -25.84 60.52 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.542 HD13 HG23 ' E' ' 40' ' ' ILE . 4.1 mt -72.39 -37.17 68.79 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' D' ' 42' ' ' LEU . 58.3 mt -61.99 -41.35 90.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.27 -41.89 97.71 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.539 178.102 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -63.41 -40.78 98.11 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 123.864 0.728 . . . . 0.0 109.916 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.463 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -62.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.665 0.603 . . . . 0.0 109.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.74 -45.73 91.36 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.33 -43.03 99.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.911 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.47 -39.91 94.71 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.641 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.29 93.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -65.0 -42.67 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 124.094 0.871 . . . . 0.0 108.871 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.445 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -59.45 -42.13 91.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.47 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.445 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.189 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 119.821 -0.133 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -82.09 -60.02 2.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.9 mt -61.51 -47.58 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -61.72 -40.71 96.03 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.495 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.482 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 56.1 t80 -57.81 -45.4 86.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.87 -52.94 57.71 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 122.861 0.465 . . . . 0.0 110.36 178.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.37 -43.98 92.8 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.796 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.67 -43.4 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.4 mt -61.81 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.542 HG23 HD13 ' D' ' 44' ' ' LEU . 53.7 mt -66.32 -42.12 90.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 123.437 0.461 . . . . 0.0 110.235 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.3 m -56.34 -48.68 76.28 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -63.09 -39.77 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.341 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' D' ' 44' ' ' LEU . 10.3 tp -65.16 -50.72 64.89 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' E' ' 47' ' ' ILE . 2.3 mt -54.05 -35.67 62.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.68 0.392 . . . . 0.0 110.029 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' E' ' 42' ' ' LEU . 55.8 mt -62.23 -42.14 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.57 -38.44 91.0 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.4 mt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.8 -40.92 96.9 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.908 0.755 . . . . 0.0 109.189 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -43.3 99.11 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.981 0.8 . . . . 0.0 109.024 179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 m -62.4 -46.3 89.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.194 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.34 -41.63 98.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.316 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.85 -41.31 97.83 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.915 0.76 . . . . 0.0 110.305 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.19 94.17 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.63 -42.46 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.812 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -61.5 -40.05 93.19 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.177 0.923 . . . . 0.0 110.224 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.704 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.23 0.06 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.57 -49.71 70.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.325 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.97 -43.93 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.14 -40.78 98.57 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 123.652 0.595 . . . . 0.0 109.909 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.1 t80 -54.41 -48.04 72.07 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.589 0.555 . . . . 0.0 111.127 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.8 OUTLIER -64.93 -49.61 69.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 123.295 0.372 . . . . 0.0 110.286 179.31 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.15 -42.58 91.04 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.107 0.88 . . . . 0.0 110.471 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.86 -42.32 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 124.442 1.089 . . . . 0.0 108.978 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 36.3 mt -61.7 -43.0 99.69 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.724 0.64 . . . . 0.0 109.333 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.604 HD12 HD13 ' E' ' 44' ' ' LEU . 30.6 mm -64.65 -42.34 94.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.164 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 74.1 m -60.49 -48.55 81.26 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 124.304 1.002 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.49 -40.84 96.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.609 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' E' ' 44' ' ' LEU . 25.2 tp -78.42 -20.45 51.07 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.705 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.747 HD23 HD23 ' B' ' 43' ' ' LEU . 0.3 OUTLIER -70.81 -33.03 70.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.353 0.978 . . . . 0.0 109.147 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.39 -42.75 97.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.302 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 CA--C 1.538 0.504 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.7 178.015 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.84 -41.24 97.56 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.153 0.908 . . . . 0.0 109.184 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.89 -42.78 99.48 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.003 0.815 . . . . 0.0 109.023 179.46 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -62.4 -46.7 87.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.264 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -62.31 -41.62 98.69 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.334 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.12 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.3 88.79 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.274 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.22 -44.66 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.439 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.3 ptt180 -71.4 -23.41 61.87 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.492 0.495 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.439 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.225 -0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.75 -49.33 71.19 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.929 0.768 . . . . 0.0 112.058 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.46 -43.96 87.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 123.449 0.468 . . . . 0.0 110.386 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -62.99 -40.6 98.25 Favored 'General case' 0 C--O 1.209 -1.056 0 O-C-N 123.588 0.555 . . . . 0.0 109.887 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.514 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 63.5 t80 -54.73 -49.3 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.279 0.362 . . . . 0.0 111.106 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -64.4 -47.94 77.3 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.58 0.55 . . . . 0.0 109.997 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -58.36 -44.58 88.87 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 123.185 0.594 . . . . 0.0 110.125 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.66 -42.9 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.584 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 55.3 mt -61.55 -42.78 99.34 Favored 'General case' 0 C--O 1.25 1.086 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.566 HD12 HD13 ' A' ' 44' ' ' LEU . 31.0 mm -64.05 -42.69 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 71.1 m -60.94 -49.51 77.15 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 124.163 0.914 . . . . 0.0 110.185 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.04 -42.28 94.07 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 124.292 0.995 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 HD23 ' A' ' 44' ' ' LEU . 23.9 tp -70.37 -47.72 59.64 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.269 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.624 HD13 HD12 ' C' ' 40' ' ' ILE . 0.2 OUTLIER -46.09 -34.97 4.52 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.105 0.866 . . . . 0.0 111.77 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.43 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.429 177.328 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -61.91 -40.89 97.0 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.919 0.762 . . . . 0.0 109.26 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.427 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.88 -43.02 99.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.993 0.808 . . . . 0.0 109.057 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -62.45 -46.38 88.77 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.3 -41.77 98.8 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.246 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.92 0.763 . . . . 0.0 110.432 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.14 94.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.8 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.6 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.878 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -61.35 -40.1 93.0 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.268 0.98 . . . . 0.0 110.218 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.646 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.06 -49.47 72.19 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.089 0.868 . . . . 0.0 112.331 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -67.01 -43.77 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.341 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.8 -40.23 96.71 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.605 0.566 . . . . 0.0 109.608 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.541 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 70.6 t80 -56.03 -48.24 76.35 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.281 0.363 . . . . 0.0 111.212 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -63.27 -50.85 68.53 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' C' ' 40' ' ' ILE . 67.1 mt -52.8 -72.41 0.05 Allowed 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -34.12 -44.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.6 mt -62.22 -45.85 91.48 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 110.369 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.624 HD12 HD13 ' B' ' 44' ' ' LEU . 25.8 mm -62.58 -42.4 95.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.4 m -59.41 -49.58 77.27 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.509 1.13 . . . . 0.0 109.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.82 -40.21 91.91 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.011 0.82 . . . . 0.0 109.837 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 44' ' ' LEU . 26.9 tp -77.84 -20.23 53.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.9 0.75 . . . . 0.0 110.586 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.769 HD23 HD23 ' D' ' 43' ' ' LEU . 0.3 OUTLIER -71.25 -33.31 69.69 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 119.359 0.981 . . . . 0.0 108.848 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.65 -42.71 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.59 -38.53 91.32 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.792 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' C' ' 44' ' ' LEU . 82.8 mt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.72 -40.79 96.29 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.992 0.807 . . . . 0.0 109.232 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.81 -43.2 99.32 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -62.49 -46.17 89.69 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.44 -41.63 98.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.284 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.84 -41.29 97.85 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.927 0.767 . . . . 0.0 110.425 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.08 94.42 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.736 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.83 -42.37 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.892 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -61.5 -39.95 92.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.167 0.917 . . . . 0.0 110.155 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.643 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.458 -0.05 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.93 -50.11 69.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.026 0.829 . . . . 0.0 112.326 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.83 -43.71 89.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.22 -40.69 98.18 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 123.615 0.572 . . . . 0.0 110.17 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 63.0 t80 -54.52 -48.9 71.38 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.736 0.647 . . . . 0.0 111.304 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.57 -48.87 73.37 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 123.954 0.784 . . . . 0.0 110.567 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.92 -43.33 86.19 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.729 0.643 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.41 -43.03 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 124.949 1.406 . . . . 0.0 109.019 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 52.7 mt -61.93 -43.14 99.46 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 HD13 ' C' ' 44' ' ' LEU . 28.4 mm -63.65 -42.86 97.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 82.8 m -61.63 -48.45 80.83 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.987 0.805 . . . . 0.0 110.325 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -60.64 -42.41 96.89 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 124.16 0.913 . . . . 0.0 109.696 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.769 HD23 HD23 ' C' ' 44' ' ' LEU . 24.1 tp -69.67 -48.25 60.44 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.749 HD23 HD23 ' E' ' 43' ' ' LEU . 0.2 OUTLIER -45.52 -34.95 3.54 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.068 0.849 . . . . 0.0 112.123 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.58 -44.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -66.31 -35.59 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.419 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.1 mt . . . . . 0 C--N 1.364 1.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.85 -40.77 96.49 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 124.051 0.844 . . . . 0.0 109.215 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.429 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.13 99.47 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.984 0.802 . . . . 0.0 108.987 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 14.0 m -62.64 -46.14 89.62 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.315 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.37 -41.75 98.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.231 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.86 -41.28 97.82 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.864 0.728 . . . . 0.0 110.361 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.15 94.34 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.73 -42.38 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.878 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.5 ttp180 -61.62 -39.96 93.14 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.23 0.956 . . . . 0.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.584 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--O 1.223 -0.339 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.54 -49.63 70.48 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.159 0.912 . . . . 0.0 112.396 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.05 -44.1 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 123.43 0.457 . . . . 0.0 110.353 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -63.05 -40.57 98.11 Favored 'General case' 0 C--O 1.2 -1.507 0 O-C-N 123.487 0.492 . . . . 0.0 109.811 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 63.9 t80 -54.15 -48.8 70.45 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.283 0.365 . . . . 0.0 111.181 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.74 -48.93 72.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.045 0.45 . . . . 0.0 110.24 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.9 -42.74 94.52 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.76 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.33 -42.76 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 124.718 1.261 . . . . 0.0 108.485 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.501 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.2 mt -61.7 -43.79 98.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.571 HD12 HD13 ' D' ' 44' ' ' LEU . 30.1 mm -64.05 -42.18 94.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 123.707 0.63 . . . . 0.0 109.513 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 75.1 m -60.76 -48.37 82.09 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.989 0.806 . . . . 0.0 110.288 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.62 -42.17 96.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 124.291 0.995 . . . . 0.0 109.846 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.749 HD23 HD23 ' D' ' 44' ' ' LEU . 23.0 tp -70.38 -48.44 56.26 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.21 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.604 HD13 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -45.35 -34.91 3.24 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.911 0.778 . . . . 0.0 111.705 179.292 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.47 -44.04 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -35.66 80.83 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.556 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' E' ' 44' ' ' LEU . 95.2 mt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 123.907 0.754 . . . . 0.0 109.59 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.5 tm? -60.87 -42.59 98.19 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.883 0.739 . . . . 0.0 109.644 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.8 m -62.62 -46.57 87.66 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -61.6 -43.76 98.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.774 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -65.59 -38.87 90.75 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.985 0.803 . . . . 0.0 110.426 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.73 93.09 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.841 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.97 -42.82 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.142 0.901 . . . . 0.0 109.047 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.6 ttp180 -58.47 -42.83 88.38 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.273 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.952 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.38 -56.89 6.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.697 HG23 HD11 ' E' ' 37' ' ' LEU . 68.1 mt -65.22 -44.83 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.017 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -60.63 -41.64 95.26 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 41.8 t80 -58.84 -46.25 88.14 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.399 0.437 . . . . 0.0 110.865 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -68.74 -38.93 80.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.614 0.572 . . . . 0.0 111.26 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.676 HD11 HG23 ' B' ' 33' ' ' ILE . 23.2 mt -64.43 -44.31 91.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.044 0.926 . . . . 0.0 108.711 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.41 -39.82 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 112.28 -2.237 . . . . 0.0 107.664 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 26.4 mt -63.23 -43.38 98.22 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.658 HG23 HD11 ' E' ' 44' ' ' LEU . 31.7 mm -62.43 -43.5 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 59.8 m -55.66 -49.17 73.62 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.475 0.655 . . . . 0.0 109.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.31 -39.78 92.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.045 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.9 -28.13 57.94 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.379 0.425 . . . . 0.0 111.741 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.738 HD11 HG23 ' B' ' 40' ' ' ILE . 20.0 mt -66.49 -38.26 86.88 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.74 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.547 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.16 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.642 0.589 . . . . 0.0 109.693 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.18 -42.51 98.7 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.78 0.675 . . . . 0.0 109.777 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.73 -45.91 90.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.16 -43.65 98.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.79 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -65.46 -38.49 90.0 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.058 0.849 . . . . 0.0 110.563 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.9 92.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.723 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.93 -42.8 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 124.135 0.897 . . . . 0.0 108.972 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.7 ttp180 -58.45 -42.72 88.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.399 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.081 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -69.06 -56.51 7.51 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.676 HG23 HD11 ' A' ' 37' ' ' LEU . 69.3 mt -65.45 -44.44 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.371 0.419 . . . . 0.0 111.107 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.71 -42.17 96.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 42.1 t80 -58.61 -46.35 87.21 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.57 0.543 . . . . 0.0 110.463 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.8 t -68.52 -39.15 81.33 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.515 0.51 . . . . 0.0 111.542 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' C' ' 33' ' ' ILE . 22.2 mt -64.57 -43.61 93.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.049 0.928 . . . . 0.0 108.79 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.3 -39.54 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 112.53 -2.123 . . . . 0.0 107.475 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 25.1 mt -63.21 -43.01 99.33 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.738 HG23 HD11 ' A' ' 44' ' ' LEU . 25.7 mm -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 60.6 m -55.95 -49.5 73.37 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.228 0.537 . . . . 0.0 109.831 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.97 -39.84 94.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.197 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.8 -27.87 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.894 0.478 . . . . 0.0 111.717 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.714 HD11 HG23 ' C' ' 40' ' ' ILE . 18.2 mt -67.1 -38.34 85.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.74 -42.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 80.2 m . . . . . 0 C--N 1.346 0.454 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.285 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -64.47 -41.09 96.71 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.64 0.587 . . . . 0.0 109.728 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.487 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.6 tm? -60.96 -42.67 98.72 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.765 0.666 . . . . 0.0 109.797 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.7 m -62.5 -45.99 90.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.14 -43.62 98.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.924 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.8 m -65.4 -38.68 90.71 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.511 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.96 92.57 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.765 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.84 -42.9 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.138 0.898 . . . . 0.0 108.988 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.8 ttp180 -58.61 -42.51 88.3 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.301 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.453 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.009 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.44 -56.84 6.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' B' ' 37' ' ' LEU . 71.4 mt -65.09 -44.61 95.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 119.332 -0.366 . . . . 0.0 110.812 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -61.08 -41.83 97.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.456 -0.498 . . . . 0.0 109.8 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.491 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 43.8 t80 -57.22 -45.74 83.57 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.052 0.22 . . . . 0.0 110.442 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -66.53 -51.27 58.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.451 0.469 . . . . 0.0 110.306 179.113 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.699 HD11 HG23 ' D' ' 33' ' ' ILE . 23.7 mt -55.02 -44.12 74.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 123.707 0.63 . . . . 0.0 109.387 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.51 -42.3 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.457 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.66 -41.73 99.23 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.714 HG23 HD11 ' B' ' 44' ' ' LEU . 37.8 mm -63.02 -43.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.8 m -56.47 -48.74 76.46 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.447 0.467 . . . . 0.0 109.874 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.96 -40.26 94.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.004 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.1 -27.92 60.06 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.929 0.492 . . . . 0.0 111.389 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.672 HD11 HG23 ' D' ' 40' ' ' ILE . 17.2 mt -67.43 -38.13 84.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.01 -42.46 95.76 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -62.09 -36.98 83.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.715 0.634 . . . . 0.0 109.314 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' C' ' 44' ' ' LEU . 52.5 mt . . . . . 0 C--N 1.353 0.749 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -64.43 -40.64 96.15 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 123.875 0.734 . . . . 0.0 109.659 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.485 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.11 -41.68 97.14 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.588 0.555 . . . . 0.0 109.985 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 21.7 m -63.1 -46.91 85.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -61.27 -43.71 98.43 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.915 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -38.82 90.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.573 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.76 92.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.843 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.95 -42.72 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 124.063 0.852 . . . . 0.0 109.005 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.8 ttp180 -58.49 -42.92 88.7 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.346 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.132 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.64 -56.75 7.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.699 HG23 HD11 ' C' ' 37' ' ' LEU . 71.5 mt -65.16 -44.82 95.34 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.734 -177.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.12 -41.62 97.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.651 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 43.7 t80 -57.49 -45.27 85.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.191 0.307 . . . . 0.0 110.517 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.3 t -67.19 -49.87 63.01 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.63 HD11 HG23 ' E' ' 33' ' ' ILE . 21.1 mt -55.94 -43.65 77.63 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.2 -41.37 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 113.811 -1.54 . . . . 0.0 107.731 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.5 mt -62.55 -42.11 99.33 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.672 HG23 HD11 ' C' ' 44' ' ' LEU . 35.3 mm -63.36 -43.8 98.72 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 60.0 m -55.3 -49.51 71.95 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.59 -41.86 95.96 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.995 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.11 -51.5 60.97 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.697 HD11 HG23 ' E' ' 40' ' ' ILE . 20.9 mt -49.27 -37.71 24.6 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.055 0.542 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.14 -43.72 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.52 -34.68 78.79 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' D' ' 44' ' ' LEU . 82.3 mt . . . . . 0 C--O 1.212 -0.881 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.56 -41.34 96.37 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.702 0.626 . . . . 0.0 109.741 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.483 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.6 tm? -60.78 -42.59 97.83 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.005 0.816 . . . . 0.0 109.712 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.67 -45.75 91.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -62.3 -43.48 98.73 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.919 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.45 -38.71 90.64 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.467 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.93 92.94 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.564 0.54 . . . . 0.0 109.811 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.1 -42.67 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.19 0.931 . . . . 0.0 108.97 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.473 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -58.49 -42.91 88.64 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.268 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.473 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.168 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.234 0.241 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.07 -56.99 6.86 Favored 'General case' 0 C--O 1.239 0.553 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.63 HG23 HD11 ' D' ' 37' ' ' LEU . 70.1 mt -65.46 -45.0 94.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.801 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.617 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' E' ' 39' ' ' LEU . 45.0 t80 -59.33 -46.25 89.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.418 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.8 t -68.28 -36.33 79.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.985 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 33' ' ' ILE . 19.5 mt -62.63 -67.97 0.37 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.982 -2.97 . . . . 0.0 102.982 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 57.9 mt -37.64 -38.9 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.977 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' E' ' 35' ' ' PHE . 24.7 mt -63.7 -46.34 85.94 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 122.165 -0.334 . . . . 0.0 110.609 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.697 HG23 HD11 ' D' ' 44' ' ' LEU . 29.0 mm -61.21 -42.77 94.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 36.4 m -55.85 -48.99 74.53 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.06 -40.88 95.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.297 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' D' ' 44' ' ' LEU . 2.6 tp -65.35 -52.26 54.97 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' E' ' 47' ' ' ILE . 27.7 mt -48.34 -37.57 16.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.932 0.493 . . . . 0.0 111.169 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.51 -44.1 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.7 -34.78 78.62 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.781 0.676 . . . . 0.0 109.538 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.1 mt . . . . . 0 C--N 1.357 0.925 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.71 -40.16 94.89 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.756 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.6 tm? -60.99 -42.59 98.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.651 0.594 . . . . 0.0 109.973 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.86 -47.43 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.95 -43.99 97.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.792 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.26 -39.83 94.74 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.067 0.854 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.91 90.8 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.115 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.32 -42.64 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' A' ' 14' ' ' ARG . 51.3 ttp180 -60.77 -41.82 96.26 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.008 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.9 tp . . . . . 0 C--O 1.235 0.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.31 -56.09 4.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -62.3 -45.75 98.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.656 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -63.07 -40.77 98.66 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.384 0.427 . . . . 0.0 110.164 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.7 t80 -57.52 -45.84 84.53 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -66.02 -49.12 68.88 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 123.399 0.437 . . . . 0.0 110.061 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.906 0.754 . . . . 0.0 111.266 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.67 -43.1 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.3 mt -62.17 -42.52 99.34 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.785 0.678 . . . . 0.0 109.47 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.56 -43.75 98.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 80.1 m -56.97 -44.89 83.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.02 -33.94 76.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.09 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.6 tp -74.91 -30.46 61.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.63 -39.52 91.55 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.3 -43.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m . . . . . 0 C--N 1.345 0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.937 177.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.47 -40.12 95.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.744 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.475 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.7 tm? -61.23 -42.52 98.75 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.663 0.602 . . . . 0.0 109.803 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.05 -47.54 84.25 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.75 -44.23 97.31 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.958 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -63.98 -40.01 95.42 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.85 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -41.66 90.93 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.273 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.4 -42.63 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' B' ' 14' ' ' ARG . 51.2 ttp180 -60.76 -41.95 96.49 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.189 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.402 0 O-C-N 123.892 0.745 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.5 tp . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.51 -56.31 4.11 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.43 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-O 119.117 -0.468 . . . . 0.0 111.933 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -62.83 -40.16 96.55 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 123.626 0.579 . . . . 0.0 110.255 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 58.2 t80 -58.91 -47.42 85.09 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 123.545 0.528 . . . . 0.0 110.058 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -66.96 -34.59 78.1 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.834 0.709 . . . . 0.0 111.571 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 40' ' ' ILE . 60.9 mt -67.92 -71.36 0.21 Allowed 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -33.95 -43.17 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 123.965 0.906 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 29.7 mt -63.32 -47.47 82.11 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.386 0.274 . . . . 0.0 110.283 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 41' ' ' CYS . 8.2 mm -61.89 -42.93 96.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 124.097 0.873 . . . . 0.0 108.961 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.0 m -56.46 -44.66 80.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.348 0.594 . . . . 0.0 109.726 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.4 -32.12 72.81 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.776 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.07 -29.97 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.464 HD23 HD11 ' C' ' 47' ' ' ILE . 5.8 mp -64.71 -39.53 93.81 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.1 -43.21 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.348 0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.707 178.122 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -63.99 -39.96 95.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.829 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.473 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.7 tm? -61.3 -42.93 99.48 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.62 0.575 . . . . 0.0 109.753 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.2 -47.35 84.86 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.71 -44.22 97.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.101 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -64.09 -39.81 94.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.883 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.71 90.77 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.418 0.449 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.51 -42.57 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.508 ' HE ' HH12 ' C' ' 14' ' ' ARG . 51.3 ttp180 -61.06 -41.88 97.44 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.03 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.508 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 O-C-N 123.978 0.799 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -81.63 -55.91 4.35 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.403 HG23 HD11 ' B' ' 37' ' ' LEU . 65.1 mt -62.51 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.33 -41.14 98.87 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.275 0.36 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.6 t80 -57.14 -46.76 82.42 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.499 0.5 . . . . 0.0 110.535 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -49.46 70.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.315 179.127 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.712 0.633 . . . . 0.0 109.919 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.47 -43.98 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 124.145 0.903 . . . . 0.0 108.915 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.495 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.2 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.27 -44.17 99.04 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 73.4 m -56.98 -44.79 83.03 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.876 0.735 . . . . 0.0 110.329 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.07 -33.41 75.73 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.977 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' C' ' 43' ' ' LEU . 8.5 tp -76.21 -30.52 58.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.849 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.563 HD23 HD11 ' D' ' 47' ' ' ILE . 5.9 mp -64.75 -39.31 93.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.31 -43.14 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -64.85 -37.17 86.73 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.926 0.766 . . . . 0.0 109.659 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 44' ' ' LEU . 48.9 mt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -64.14 -40.34 95.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.736 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.487 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -61.36 -42.53 98.85 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.056 0.847 . . . . 0.0 109.729 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -61.76 -47.69 84.08 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.61 -43.99 97.83 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.152 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.8 m -64.25 -39.89 94.88 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.936 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.91 91.1 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.448 0.467 . . . . 0.0 110.233 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.26 -42.8 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.509 ' HE ' HH12 ' D' ' 14' ' ' ARG . 51.4 ttp180 -60.7 -41.85 96.0 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.997 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.509 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.443 0 O-C-N 123.92 0.762 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.18 -55.8 4.5 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.839 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -63.88 -41.01 97.84 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 119.061 -0.495 . . . . 0.0 109.931 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 60.4 t80 -56.87 -46.59 81.71 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.916 0.76 . . . . 0.0 110.142 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -64.52 -49.78 69.95 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.25 0.344 . . . . 0.0 110.724 178.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.32 -43.18 96.61 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.734 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.98 -43.22 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 124.252 0.97 . . . . 0.0 109.122 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 34.0 mt -61.97 -42.16 98.82 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.43 -43.67 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.1 m -57.69 -46.1 84.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.5 -37.8 88.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.655 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.28 -52.03 51.56 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.85 -0.595 . . . . 0.0 109.546 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' D' ' 47' ' ' ILE . 6.0 mp -48.82 -38.88 23.43 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.684 0.675 . . . . 0.0 110.686 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.58 -44.4 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.63 -34.15 77.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.986 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' D' ' 44' ' ' LEU . 80.2 mt . . . . . 0 C--N 1.35 0.607 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.53 -40.17 95.12 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.87 0.731 . . . . 0.0 109.839 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.503 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.9 tm? -60.98 -42.52 98.52 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.636 0.585 . . . . 0.0 109.975 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -62.15 -47.58 83.93 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -61.79 -43.89 97.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.931 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -39.8 94.63 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.016 0.823 . . . . 0.0 110.829 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.75 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.42 0.45 . . . . 0.0 110.123 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.38 -42.9 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.503 ' HE ' HH12 ' E' ' 14' ' ' ARG . 51.4 ttp180 -60.57 -41.86 95.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.969 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.503 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.52 0 O-C-N 123.839 0.712 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -81.56 -55.97 4.33 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.711 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.23 -40.94 98.88 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.621 0.576 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -57.65 -46.01 84.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.218 0.324 . . . . 0.0 110.644 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.45 -49.2 72.4 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.583 0.552 . . . . 0.0 110.595 178.399 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.07 -42.41 98.45 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.625 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.58 -44.51 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 35.2 mt -61.96 -42.22 98.87 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.215 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mm -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.07 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 70.8 m -58.59 -45.09 89.84 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.07 -38.39 90.91 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.363 1.039 . . . . 0.0 109.53 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.16 -51.35 61.68 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.7 mp -49.75 -38.91 35.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 118.503 0.592 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.84 -44.33 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.33 -34.2 77.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.153 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.9 mt . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--O 1.225 -0.223 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.87 -40.58 93.53 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 124.026 0.828 . . . . 0.0 109.208 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.419 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.77 98.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 m -62.7 -45.99 90.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.442 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.39 -42.38 99.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.294 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.19 -40.82 98.59 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.938 0.774 . . . . 0.0 110.424 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.85 91.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.8 ttp180 -58.41 -41.53 85.17 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.604 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.283 0 O-C-N 123.754 0.659 . . . . 0.0 109.755 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 111.475 0.176 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.85 -52.65 41.07 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 123.892 0.745 . . . . 0.0 112.61 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.23 -45.53 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 122.947 0.154 . . . . 0.0 110.95 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.93 -42.79 99.92 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 39' ' ' LEU . 66.4 t80 -59.02 -48.23 82.33 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.727 0.642 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.74 -33.79 76.68 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.689 0.618 . . . . 0.0 111.731 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ILE . 45.1 mt -67.56 -69.12 0.33 Allowed 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.6 mt -33.14 -41.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 124.926 1.391 . . . . 0.0 110.369 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 35' ' ' PHE . 34.0 mt -62.98 -45.09 94.09 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.654 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.739 HD11 ' SG ' ' E' ' 41' ' ' CYS . 9.2 mm -62.77 -42.72 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 35.5 m -54.69 -49.47 70.59 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.189 0.93 . . . . 0.0 109.023 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.7 -37.9 87.74 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.683 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.63 -27.9 58.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.702 0.401 . . . . 0.0 111.522 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.627 HD11 HG23 ' B' ' 40' ' ' ILE . 10.6 mt -70.11 -37.9 75.47 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.27 -42.17 95.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--N 1.351 0.639 0 O-C-N 123.53 0.519 . . . . 0.0 109.916 178.503 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--O 1.226 -0.157 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.83 -40.49 92.95 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.744 0.652 . . . . 0.0 109.288 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -43.83 98.06 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -62.7 -46.0 90.18 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.359 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.48 -42.44 99.49 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.261 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -62.95 -40.67 98.36 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.915 0.759 . . . . 0.0 110.359 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.6 92.02 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.575 0.547 . . . . 0.0 109.743 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.77 -42.7 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.182 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.8 ttp180 -58.27 -41.8 85.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.518 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.5 0 O-C-N 123.946 0.779 . . . . 0.0 109.618 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.82 -52.23 46.26 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.34 -45.25 96.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 123.533 0.521 . . . . 0.0 110.848 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.26 -41.41 96.96 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 123.334 0.396 . . . . 0.0 110.663 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 65.0 t80 -57.51 -47.94 80.61 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 111.028 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -62.97 -51.79 65.49 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.713 0.633 . . . . 0.0 109.858 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.52 -43.13 79.51 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.334 1.021 . . . . 0.0 110.872 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.72 -42.24 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 125.562 1.788 . . . . 0.0 108.474 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 58.2 mt -64.24 -41.31 97.05 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.627 HG23 HD11 ' A' ' 44' ' ' LEU . 31.6 mm -62.1 -44.01 98.47 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 64.5 m -56.41 -50.82 70.51 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.936 0.773 . . . . 0.0 109.404 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.36 -39.12 93.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.684 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 44' ' ' LEU . 13.0 tp -75.41 -28.11 59.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.619 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.493 HD11 HG23 ' C' ' 40' ' ' ILE . 8.4 mt -69.92 -37.69 76.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.24 -42.04 94.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.473 0.716 0 O-C-N 123.509 0.506 . . . . 0.0 110.067 178.366 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.66 -40.41 91.97 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.761 0.663 . . . . 0.0 109.332 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.406 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.7 -44.06 97.66 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.019 0.824 . . . . 0.0 108.911 179.047 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -62.93 -46.06 89.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.45 -42.36 99.41 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.445 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.819 0.699 . . . . 0.0 110.261 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.68 91.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.607 0.567 . . . . 0.0 109.723 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -42.82 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.161 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -58.41 -41.51 85.1 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.668 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 O-C-N 123.818 0.699 . . . . 0.0 109.813 178.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 111.203 0.075 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -67.01 -52.86 37.29 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.96 -45.56 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.596 0.56 . . . . 0.0 110.461 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -64.19 -41.18 97.2 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 123.732 0.645 . . . . 0.0 110.531 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 65.6 t80 -57.38 -47.04 82.71 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 123.718 0.636 . . . . 0.0 111.276 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -62.64 -54.51 38.38 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.519 0.512 . . . . 0.0 109.715 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.85 -42.66 72.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.866 0.729 . . . . 0.0 110.578 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.08 -43.05 80.58 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 59.5 mt -63.67 -42.27 98.07 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.62 HG22 ' CD1' ' C' ' 44' ' ' LEU . 36.8 mm -59.29 -48.03 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 61.7 m -54.7 -48.66 72.17 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.016 0.526 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.78 -36.29 83.4 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.872 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 44' ' ' LEU . 9.3 tp -76.33 -30.12 57.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.39 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.663 HD13 HD12 ' D' ' 40' ' ' ILE . 2.3 mp -68.88 -36.83 78.55 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.24 -42.57 96.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.95 -38.99 90.59 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 123.804 0.69 . . . . 0.0 110.138 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' C' ' 44' ' ' LEU . 59.6 mt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -61.03 -40.3 93.06 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.757 0.661 . . . . 0.0 109.448 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.406 ' O ' HD13 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.08 -43.41 98.9 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.4 m -62.99 -46.06 89.49 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.425 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.52 -42.24 99.39 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.255 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.16 -40.74 98.41 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.977 0.798 . . . . 0.0 110.39 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.49 92.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.722 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.78 -42.76 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.122 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.9 ttp180 -58.3 -41.6 84.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.623 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 O-C-N 123.904 0.753 . . . . 0.0 109.608 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--O 1.236 0.372 0 CA-C-O 119.866 -0.112 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.92 -53.02 36.11 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.06 -45.31 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 123.568 0.543 . . . . 0.0 110.788 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -63.31 -42.17 98.99 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.326 0.392 . . . . 0.0 110.568 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.72 -47.43 82.42 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.597 0.561 . . . . 0.0 111.257 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -62.88 -51.36 67.26 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 53.3 mt -58.07 -42.95 86.63 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.755 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -57.01 -41.78 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 125.186 1.554 . . . . 0.0 108.462 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 123.912 0.757 . . . . 0.0 110.082 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.663 HD12 HD13 ' C' ' 44' ' ' LEU . 34.3 mm -63.56 -43.82 98.41 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 61.0 m -54.83 -49.97 69.75 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.83 -41.53 97.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.467 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.7 -51.21 61.14 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.614 HD11 HG23 ' E' ' 40' ' ' ILE . 13.3 mt -50.74 -37.34 41.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.727 0.411 . . . . 0.0 110.638 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.18 -43.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.33 -36.41 84.03 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' D' ' 44' ' ' LEU . 75.9 mt . . . . . 0 C--N 1.354 0.781 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.09 -40.34 93.35 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.953 0.783 . . . . 0.0 109.275 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.411 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.76 -43.87 98.01 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -62.88 -46.1 89.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.402 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.35 -42.22 99.22 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.402 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.27 -40.62 97.9 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.918 0.761 . . . . 0.0 110.428 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.7 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.5 -42.84 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.332 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.8 ttp180 -58.21 -41.75 84.7 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.606 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.251 0 O-C-N 123.863 0.727 . . . . 0.0 109.91 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.225 -0.209 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -66.43 -52.41 46.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.32 -45.37 96.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 123.633 0.583 . . . . 0.0 110.806 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.92 -42.11 97.47 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 0.0 109.916 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 69.0 t80 -57.31 -47.08 82.44 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.519 0.512 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.1 t -61.11 -58.3 8.92 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' E' ' 40' ' ' ILE . 54.1 mt -46.12 -70.46 0.1 Allowed 'General case' 0 C--O 1.195 -1.807 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -32.32 -44.47 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 124.047 0.842 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 57.8 mt -64.83 -43.29 93.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 117.703 0.229 . . . . 0.0 110.754 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.614 HG23 HD11 ' D' ' 44' ' ' LEU . 22.4 mm -59.62 -45.08 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 20.8 m -57.08 -49.54 75.55 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.136 0.898 . . . . 0.0 109.267 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.18 -40.63 98.06 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.362 1.039 . . . . 0.0 110.821 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' D' ' 44' ' ' LEU . 4.7 tp -65.49 -51.55 59.24 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' ' 40' ' ' ILE . 9.4 mt -52.8 -36.49 58.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.656 0.383 . . . . 0.0 110.236 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.13 -43.25 97.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.369 0.418 . . . . 0.0 109.91 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' E' ' 44' ' ' LEU . 79.0 mt . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.79 -40.77 98.36 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.498 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.453 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.72 -42.72 99.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.32 -46.12 90.17 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.893 0.746 . . . . 0.0 109.287 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.54 -41.81 99.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.849 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -64.71 -39.57 93.89 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.77 94.49 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.8 -42.64 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.701 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.3 ttp180 -59.92 -41.96 92.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.258 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.474 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 O-C-N 123.845 0.716 . . . . 0.0 109.651 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.98 -64.02 0.99 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.635 HG23 HD11 ' E' ' 37' ' ' LEU . 63.3 mt -61.83 -47.39 93.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.892 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -60.79 -41.32 95.38 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 36.9 t80 -58.65 -45.11 90.04 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.469 0.481 . . . . 0.0 109.928 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -66.3 -39.17 89.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 112.335 178.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' CD1' HG23 ' B' ' 33' ' ' ILE . 37.6 mt -67.83 -45.53 74.41 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 122.257 1.027 . . . . 0.0 109.437 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.88 -43.98 89.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-N 113.462 -1.699 . . . . 0.0 109.196 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.7 mt -60.93 -46.25 91.42 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 124.117 0.886 . . . . 0.0 109.143 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG23 HD13 ' E' ' 44' ' ' LEU . 66.2 mt -66.01 -41.47 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 124.091 0.869 . . . . 0.0 110.667 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.2 m -55.99 -48.59 75.59 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.18 -38.09 89.81 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.058 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.43 -28.33 61.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 122.904 0.482 . . . . 0.0 111.201 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.55 HD13 HG23 ' B' ' 40' ' ' ILE . 9.4 mt -68.22 -38.2 81.64 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.33 -42.55 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.35 0.615 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 177.875 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.0 -41.06 99.48 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.0 OUTLIER -61.73 -43.13 99.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -62.58 -45.53 92.48 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.71 -41.88 99.37 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.878 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.54 -39.48 93.85 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.284 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.78 94.37 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.65 -42.73 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.692 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.4 ttp180 -59.83 -42.04 92.65 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.233 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 O-C-N 123.841 0.713 . . . . 0.0 109.571 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 tp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -71.05 -64.0 0.99 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 37' ' ' LEU . 59.5 mt -61.52 -47.68 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.02 -41.64 96.94 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.831 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' B' ' 39' ' ' LEU . 38.1 t80 -59.17 -44.65 92.15 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.588 0.555 . . . . 0.0 109.657 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -66.59 -38.96 88.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 123.638 0.586 . . . . 0.0 111.766 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' C' ' 33' ' ' ILE . 24.1 mt -68.51 -46.44 69.6 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.715 0.769 . . . . 0.0 109.192 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.37 -43.01 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 113.021 -1.899 . . . . 0.0 109.114 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' B' ' 35' ' ' PHE . 19.8 mt -62.11 -44.24 97.09 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' A' ' 44' ' ' LEU . 63.0 mt -66.97 -41.73 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.304 1.002 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.9 m -56.05 -47.74 77.34 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.89 -38.11 89.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.941 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.08 -27.23 60.8 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.833 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.588 HD13 HG23 ' C' ' 40' ' ' ILE . 7.9 mt -69.48 -37.78 77.39 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.82 -42.49 96.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 C--N 1.351 0.665 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.473 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -62.89 -41.3 99.38 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.457 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.458 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.0 OUTLIER -61.58 -43.04 99.6 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.98 0.8 . . . . 0.0 109.295 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.5 m -63.03 -45.24 93.22 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.73 -41.72 99.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.075 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.61 -39.3 93.47 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.05 93.19 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.37 -42.84 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.772 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.7 ttp180 -59.88 -41.9 92.59 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.183 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.344 0.329 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 119.661 -0.209 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.91 -62.9 1.22 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.9 mt -62.97 -46.44 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.405 -176.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -60.8 -41.71 96.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.416 0.553 . . . . 0.0 110.154 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 39.0 t80 -58.74 -44.94 90.65 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.809 0.693 . . . . 0.0 109.138 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.33 -52.78 62.3 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.697 0.623 . . . . 0.0 109.953 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.648 HD11 HG23 ' D' ' 33' ' ' ILE . 18.1 mt -52.93 -74.46 0.04 OUTLIER 'General case' 0 C--O 1.194 -1.837 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -33.37 -45.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 125.365 1.666 . . . . 0.0 110.835 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.22 -47.1 85.94 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-O 121.215 0.531 . . . . 0.0 110.731 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.588 HG23 HD13 ' B' ' 44' ' ' LEU . 62.1 mt -64.23 -42.02 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.902 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 56.2 m -55.05 -48.99 72.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.33 -38.18 90.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.43 -27.0 61.19 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.604 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' C' ' 47' ' ' ILE . 8.1 mt -70.09 -37.65 75.47 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.03 -42.36 95.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -63.19 -35.36 80.04 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' C' ' 44' ' ' LEU . 41.5 mt . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -63.24 -40.97 98.94 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.67 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.0 OUTLIER -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -62.87 -45.67 91.45 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.52 -41.78 99.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.774 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.0 m -64.82 -39.56 93.78 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.092 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.9 94.59 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.53 -42.83 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.82 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.6 ttp180 -59.83 -41.94 92.46 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.198 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.34 0.19 0 O-C-N 123.81 0.694 . . . . 0.0 109.622 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.19 -62.96 1.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.648 HG23 HD11 ' C' ' 37' ' ' LEU . 61.9 mt -62.63 -46.7 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.561 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -61.44 -41.36 97.07 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.85 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 38.2 t80 -58.71 -44.68 90.46 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.6 -51.05 66.97 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.911 0.757 . . . . 0.0 110.633 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' E' ' 33' ' ' ILE . 32.9 mt -58.62 -44.76 90.07 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.103 0.477 . . . . 0.0 110.328 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.05 -43.08 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.887 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 27.6 mt -61.08 -44.03 97.99 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.563 HG23 HD13 ' C' ' 44' ' ' LEU . 60.9 mt -67.21 -42.44 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.738 0.649 . . . . 0.0 109.812 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.0 m -55.94 -48.12 76.32 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.56 -40.4 96.88 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.765 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.08 -51.46 63.95 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' D' ' 47' ' ' ILE . 10.6 mt -50.68 -38.57 47.56 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.226 0.61 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.62 -43.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.38 -31.97 73.35 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.883 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.51 -40.88 98.22 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.847 0.717 . . . . 0.0 109.718 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.471 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.1 tm? -61.46 -43.17 99.34 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -63.09 -45.35 92.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.68 -41.52 99.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.986 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.8 m -64.85 -39.39 93.49 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.211 0.944 . . . . 0.0 110.309 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.26 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.59 -42.93 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.638 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.471 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.4 ttp180 -59.72 -41.98 92.07 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.147 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.471 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.344 0.339 0 O-C-N 123.716 0.635 . . . . 0.0 109.69 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--O 1.224 -0.265 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -71.44 -62.65 1.33 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -62.65 -46.59 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -60.99 -41.29 96.17 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.255 0.479 . . . . 0.0 110.636 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 37.6 t80 -59.86 -44.67 94.01 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -61.52 -53.96 49.55 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.134 0.896 . . . . 0.0 109.665 178.217 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 33' ' ' ILE . 18.7 mt -51.3 -74.18 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -35.04 -45.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 125.369 1.668 . . . . 0.0 110.904 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.544 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.9 mt -61.76 -47.11 86.64 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 120.651 0.262 . . . . 0.0 110.458 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.606 HG23 HD13 ' D' ' 44' ' ' LEU . 65.3 mt -65.25 -42.12 93.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.314 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 58.8 m -56.0 -47.21 78.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.62 -39.85 94.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.076 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.46 -51.24 64.05 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' E' ' 47' ' ' ILE . 11.5 mt -50.12 -38.05 37.08 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.469 0.481 . . . . 0.0 110.824 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.54 -31.92 73.23 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.879 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' E' ' 44' ' ' LEU . 88.4 mt . . . . . 0 C--N 1.354 0.8 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.03 -40.43 95.68 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.173 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.83 -46.19 89.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.224 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.5 -41.93 99.15 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.029 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -64.6 -39.95 94.65 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.005 0.815 . . . . 0.0 110.133 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.14 94.88 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.19 -42.89 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.944 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -57.65 -41.38 81.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.047 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.014 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -62.36 -46.08 90.27 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.254 0.972 . . . . 0.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.18 -51.03 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -62.5 -45.04 94.84 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 34.6 t80 -58.93 -46.93 86.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.623 0.577 . . . . 0.0 110.854 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.0 OUTLIER -65.14 -37.65 88.09 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.377 0.423 . . . . 0.0 111.215 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.79 -43.45 68.68 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.064 0.853 . . . . 0.0 110.556 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.24 -42.99 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.761 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.1 mt -60.66 -44.68 96.15 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.587 ' CD1' HD13 ' E' ' 44' ' ' LEU . 2.2 mm -64.89 -42.23 94.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 123.232 0.613 . . . . 0.0 109.522 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.0 m -59.9 -51.29 70.33 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 122.598 0.359 . . . . 0.0 110.482 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.28 -41.45 98.49 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.33 1.019 . . . . 0.0 109.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' E' ' 44' ' ' LEU . 19.9 tp -64.01 -50.05 70.02 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.06 0.85 . . . . 0.0 108.737 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' B' ' 43' ' ' LEU . 0.0 OUTLIER -50.08 -40.69 46.36 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.243 0.617 . . . . 0.0 110.075 177.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.45 -42.7 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.284 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.97 -40.54 95.95 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -61.77 -42.99 99.7 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.901 0.751 . . . . 0.0 109.058 178.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -62.65 -45.98 90.33 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.786 0.679 . . . . 0.0 109.341 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.75 -41.83 99.38 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.984 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -64.48 -39.85 94.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 110.08 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.0 94.76 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.642 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.886 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.457 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.5 ttp180 -57.62 -41.44 81.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.998 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.457 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -62.46 -46.14 89.85 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.93 -51.63 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.02 -44.74 96.08 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.64 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.3 t80 -59.65 -47.31 86.1 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 123.359 0.412 . . . . 0.0 111.256 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -63.55 -34.06 76.97 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.651 0.595 . . . . 0.0 111.631 179.342 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.5 -74.4 0.13 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -32.01 -44.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.549 0 O-C-N 125.737 1.898 . . . . 0.0 110.924 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' B' ' 35' ' ' PHE . 21.9 mt -60.39 -49.73 76.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.684 0.278 . . . . 0.0 110.409 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.464 HD11 ' SG ' ' A' ' 41' ' ' CYS . 96.1 mt -66.55 -41.02 87.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.389 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.6 m -55.39 -50.55 69.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 45' ' ' ILE . 55.1 mt -62.28 -39.75 93.98 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.2 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 44' ' ' LEU . 30.5 tp -64.83 -47.87 76.45 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.475 ' HB3' HD23 ' C' ' 43' ' ' LEU . 1.6 mt -53.06 -38.55 62.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.032 0.533 . . . . 0.0 109.587 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 42' ' ' LEU . 66.5 mt -63.34 -42.69 97.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.512 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.43 -40.46 94.53 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 123.781 0.676 . . . . 0.0 109.264 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.407 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -43.18 99.36 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -63.02 -46.1 89.21 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.296 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.36 -41.96 99.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.278 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -64.58 -40.08 94.89 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.157 0.911 . . . . 0.0 110.087 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.29 94.75 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.03 -43.03 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.832 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.448 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -57.61 -41.33 81.07 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.448 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.148 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -62.43 -46.63 87.69 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.725 0.641 . . . . 0.0 112.722 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.72 -51.14 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.93 -44.84 94.98 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.599 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 36.8 t80 -56.86 -47.31 80.71 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 123.647 0.592 . . . . 0.0 111.728 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.34 -50.61 70.94 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.66 0.6 . . . . 0.0 109.69 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.2 -44.23 95.3 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.18 -42.52 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 124.971 1.419 . . . . 0.0 109.687 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.5 mt -60.09 -45.4 93.06 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.537 HD11 ' SG ' ' B' ' 41' ' ' CYS . 44.6 mt -66.91 -40.46 85.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.428 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 74.1 m -56.42 -49.98 72.96 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.57 -41.45 98.93 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.62 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 44' ' ' LEU . 15.4 tp -70.68 -23.68 62.53 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.637 ' HB3' HD23 ' D' ' 43' ' ' LEU . 0.0 OUTLIER -73.85 -39.01 64.29 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.78 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.29 -41.59 93.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 77.9 m -62.24 -41.28 98.27 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.352 0.682 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.589 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.18 -40.59 96.54 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.901 0.751 . . . . 0.0 109.021 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -61.85 -42.9 99.61 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -62.63 -46.05 90.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.244 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.74 -41.8 99.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.178 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.53 -40.05 94.88 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.119 0.887 . . . . 0.0 110.246 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.24 94.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.21 -42.83 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.879 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.455 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -57.69 -41.35 81.48 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.102 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.455 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.15 177.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -62.3 -45.8 91.63 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.0 -51.21 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -63.1 -43.94 97.07 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.663 1.227 . . . . 0.0 110.986 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -56.96 -47.44 80.71 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.771 0.669 . . . . 0.0 111.96 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.32 -50.63 70.89 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.513 0.508 . . . . 0.0 109.833 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.65 -44.17 93.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.592 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.7 -42.42 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 124.64 1.213 . . . . 0.0 109.394 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 23.4 mt -60.27 -45.5 93.08 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' D' ' 44' ' ' LEU . 82.9 mt -67.54 -40.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 123.758 0.661 . . . . 0.0 110.457 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.3 m -54.28 -50.39 67.37 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.739 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -71.84 -25.12 61.84 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.454 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.455 HD13 HG23 ' E' ' 40' ' ' ILE . 1.5 mt -70.21 -40.53 74.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.02 -42.18 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.304 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.27 -40.74 97.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.87 0.731 . . . . 0.0 110.188 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.18 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.462 0.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.23 -40.31 95.73 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.867 0.729 . . . . 0.0 109.049 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.421 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -42.99 99.72 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.75 -46.03 89.94 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.373 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.73 -41.84 99.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.126 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -64.37 -40.12 95.21 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.95 0.781 . . . . 0.0 110.302 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.05 95.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.33 -42.81 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.74 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.6 ttp180 -57.76 -41.34 81.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.949 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.161 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 119.631 -0.223 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -62.49 -46.05 90.23 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.862 0.726 . . . . 0.0 112.837 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.62 -51.28 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.84 -44.3 96.51 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.374 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 33.8 t80 -57.07 -47.14 81.71 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.689 0.618 . . . . 0.0 111.166 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -62.88 -50.39 71.08 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.157 0.503 . . . . 0.0 110.063 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -44.54 93.71 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.11 -43.43 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 125.112 1.507 . . . . 0.0 108.779 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.551 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.1 mt -59.94 -46.25 90.01 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' D' ' 41' ' ' CYS . 53.2 mt -65.95 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.18 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.8 m -58.17 -49.27 77.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.31 -40.92 97.91 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 124.514 1.134 . . . . 0.0 109.595 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' E' ' 43' ' ' LEU . 19.0 tp -64.82 -51.02 64.36 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' E' ' 47' ' ' ILE . 0.1 OUTLIER -49.01 -41.77 35.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.203 0.601 . . . . 0.0 109.942 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -43.74 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.358 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.98 -38.53 91.4 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.287 0.367 . . . . 0.0 110.666 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.1 mt . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -62.69 -41.12 98.94 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.892 0.745 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.4 tm? -61.87 -43.16 99.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.869 0.731 . . . . 0.0 109.299 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.68 -46.74 86.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.289 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -61.97 -43.41 98.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.24 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -63.88 -40.81 97.4 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.989 0.806 . . . . 0.0 110.522 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.36 92.8 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.545 0.528 . . . . 0.0 109.777 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.88 -42.8 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.19 0.931 . . . . 0.0 109.073 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -58.67 -41.98 87.43 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.543 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 O-C-N 123.921 0.763 . . . . 0.0 109.722 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 119.632 -0.223 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.39 -53.48 28.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.107 0.879 . . . . 0.0 112.566 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.74 -45.08 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 O-C-N 123.173 0.296 . . . . 0.0 110.824 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -63.43 -42.42 98.69 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.596 0.56 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -57.46 -47.71 81.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.34 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.1 t -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.864 0.728 . . . . 0.0 111.298 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HB3' ' SG ' ' B' ' 36' ' ' CYS . 44.4 mt -70.43 -43.2 70.42 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.379 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.62 -41.92 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.996 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 26.3 mt -61.55 -44.53 96.86 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 HD12 HD13 ' E' ' 44' ' ' LEU . 28.7 mm -65.75 -41.8 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.349 1.03 . . . . 0.0 109.25 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.4 m -60.84 -52.34 65.47 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.02 0.528 . . . . 0.0 110.346 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 45' ' ' ILE . 67.8 mt -60.36 -41.38 93.55 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 123.736 0.647 . . . . 0.0 109.923 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 HD23 ' E' ' 44' ' ' LEU . 32.5 tp -66.62 -47.36 72.87 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 HD12 ' B' ' 40' ' ' ILE . 0.1 OUTLIER -52.49 -36.91 56.14 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 122.688 0.395 . . . . 0.0 110.477 178.574 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.4 mt -61.88 -43.24 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.063 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.87 -41.93 99.57 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.753 0.658 . . . . 0.0 109.466 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.7 -43.58 98.58 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.677 0.611 . . . . 0.0 109.545 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.54 -46.06 90.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.238 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.49 -43.25 99.26 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.101 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.63 -40.68 97.49 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.098 0.874 . . . . 0.0 110.529 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.43 92.44 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.831 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.82 -42.83 95.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.114 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -58.62 -41.84 86.85 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.634 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.417 0 O-C-N 123.803 0.689 . . . . 0.0 109.739 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--O 1.223 -0.333 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.59 -53.22 29.96 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.178 0.924 . . . . 0.0 112.809 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.61 -45.18 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 123.216 0.322 . . . . 0.0 110.916 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -62.69 -41.73 99.26 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 123.394 0.434 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' B' ' 39' ' ' LEU . 41.2 t80 -59.38 -47.65 84.63 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.394 0.433 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -65.6 -30.56 71.3 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.509 0.506 . . . . 0.0 111.686 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 40' ' ' ILE . 48.2 mt -72.16 -70.64 0.32 Allowed 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -32.89 -43.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.684 0 O-C-N 124.974 1.422 . . . . 0.0 110.449 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' B' ' 35' ' ' PHE . 25.4 mt -61.41 -48.75 79.76 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 41' ' ' CYS . 21.2 mm -63.52 -41.42 92.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 124.102 0.876 . . . . 0.0 108.658 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 61.0 m -61.16 -52.97 62.61 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.755 0.659 . . . . 0.0 109.949 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.4 mt -59.42 -40.0 85.29 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.104 0.878 . . . . 0.0 109.334 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.511 HD23 HD23 ' A' ' 44' ' ' LEU . 32.7 tp -66.09 -47.8 73.03 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' C' ' 40' ' ' ILE . 0.0 OUTLIER -54.11 -35.1 61.78 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 122.554 0.341 . . . . 0.0 110.509 179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' B' ' 42' ' ' LEU . 62.0 mt -63.47 -42.79 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.661 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.26 -41.08 99.01 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 123.786 0.679 . . . . 0.0 109.497 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.474 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.5 tm? -62.17 -42.89 99.7 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.809 0.693 . . . . 0.0 109.565 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.82 -46.44 87.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -62.82 -42.34 99.68 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.201 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -62.93 -41.83 99.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.269 0.98 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.37 88.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.014 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.42 -42.74 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.465 HH21 HH22 ' C' ' 14' ' ' ARG . 48.6 ttp180 -58.55 -41.74 86.26 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.441 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.465 HH22 HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 O-C-N 123.817 0.698 . . . . 0.0 109.893 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 111.45 0.167 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.66 -53.06 37.92 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.81 -44.77 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 123.13 0.269 . . . . 0.0 110.809 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -64.14 -41.52 97.17 Favored 'General case' 0 C--O 1.203 -1.371 0 O-C-N 123.806 0.691 . . . . 0.0 110.483 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 41.0 t80 -56.84 -47.09 81.15 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.581 0.551 . . . . 0.0 111.382 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.55 -49.02 75.1 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.785 0.678 . . . . 0.0 109.663 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.61 -42.36 92.45 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.651 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -42.2 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 124.272 0.982 . . . . 0.0 108.947 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.1 mt -60.8 -44.49 96.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 31.8 mm -64.47 -42.69 96.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 O-C-N 124.263 0.977 . . . . 0.0 109.44 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.9 m -61.4 -51.92 66.74 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.457 0.473 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' C' ' 45' ' ' ILE . 65.9 mt -59.95 -41.25 91.48 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 124.068 0.855 . . . . 0.0 109.823 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' B' ' 44' ' ' LEU . 30.7 tp -66.29 -47.9 72.13 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 123.811 0.695 . . . . 0.0 109.232 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.589 HD13 HD12 ' D' ' 40' ' ' ILE . 0.1 OUTLIER -52.78 -39.3 62.17 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 123.258 0.349 . . . . 0.0 110.136 178.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' C' ' 42' ' ' LEU . 54.9 mt -60.73 -42.58 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 61.9 m -63.08 -40.45 97.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.505 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.99 -41.73 99.66 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 123.889 0.743 . . . . 0.0 109.644 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.86 -43.36 99.01 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.743 0.652 . . . . 0.0 109.505 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.71 -46.08 89.76 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.161 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.4 -43.4 98.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.09 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.7 -40.4 96.68 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.017 0.823 . . . . 0.0 110.631 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.34 92.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.763 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.83 -42.77 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.217 0.948 . . . . 0.0 109.152 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.476 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -58.67 -41.83 87.07 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.557 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.476 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.39 0 O-C-N 123.728 0.642 . . . . 0.0 109.762 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 119.681 -0.2 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.64 -52.86 40.34 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.931 0.769 . . . . 0.0 112.921 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.78 -45.02 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 123.08 0.238 . . . . 0.0 110.769 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.04 -41.28 97.45 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.48 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 42.5 t80 -56.86 -47.45 80.36 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.976 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -62.79 -48.93 76.99 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.6 0.563 . . . . 0.0 109.988 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.26 -42.6 95.72 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.995 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.76 -42.17 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -61.26 -45.24 95.3 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' C' ' 41' ' ' CYS . 34.6 mm -63.94 -41.7 93.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 124.301 1.001 . . . . 0.0 110.202 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 78.6 m -61.68 -51.27 69.12 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.616 0.572 . . . . 0.0 110.304 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.8 mt -60.36 -41.28 93.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.812 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.94 -47.99 72.87 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 47' ' ' ILE . 0.1 OUTLIER -52.76 -37.52 59.63 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.472 0.483 . . . . 0.0 110.066 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 42' ' ' LEU . 53.9 mt -62.03 -42.91 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.74 -37.96 87.83 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.9 mt . . . . . 0 C--N 1.348 0.54 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 . . . . . 0 N--CA 1.466 0.329 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -63.04 -41.7 99.57 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.813 0.696 . . . . 0.0 109.529 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.467 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.5 tm? -61.82 -43.27 99.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.915 0.759 . . . . 0.0 109.559 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -62.93 -45.94 90.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.835 0.709 . . . . 0.0 109.252 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.57 -43.24 99.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.71 -40.41 96.7 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.028 0.83 . . . . 0.0 110.624 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.34 91.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.765 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.71 -42.91 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 124.192 0.932 . . . . 0.0 109.165 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.2 ttp180 -58.54 -41.97 86.76 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.652 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 O-C-N 123.727 0.642 . . . . 0.0 109.635 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.78 -53.17 29.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.19 -45.05 97.43 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.883 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.71 -41.6 98.07 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 124.409 1.068 . . . . 0.0 110.43 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 43.1 t80 -56.88 -46.62 81.76 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.591 0.557 . . . . 0.0 111.072 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.64 -49.73 72.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.5 -43.82 89.19 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.407 1.067 . . . . 0.0 110.317 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.69 -43.2 94.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.639 0.775 . . . . 0.0 109.307 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 27.1 mt -60.13 -45.36 93.29 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.608 HD12 HD13 ' D' ' 44' ' ' LEU . 34.2 mm -64.29 -42.53 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.194 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.5 m -61.26 -51.76 67.58 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.291 0.369 . . . . 0.0 110.465 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' E' ' 45' ' ' ILE . 70.4 mt -59.5 -42.25 91.76 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.538 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.46 HD23 HD23 ' D' ' 44' ' ' LEU . 31.2 tp -65.78 -48.08 72.98 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.644 HD13 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -52.37 -35.6 51.8 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.596 0.359 . . . . 0.0 110.839 178.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.9 mt -63.5 -42.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -65.9 -38.64 89.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' E' ' 44' ' ' LEU . 91.0 mt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -63.49 -40.79 98.01 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.456 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.6 tm? -61.63 -42.99 99.67 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.707 0.629 . . . . 0.0 109.492 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.53 -46.11 89.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.5 -42.69 99.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.029 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -64.33 -40.24 95.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.611 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.2 94.47 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.509 0.505 . . . . 0.0 109.667 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.76 -42.4 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.998 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.5 ttp180 -60.49 -43.34 97.1 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.605 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.416 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.824 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.2 -55.05 10.3 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.77 -47.88 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.923 0.765 . . . . 0.0 112.038 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.404 HD22 ' HB2' ' B' ' 32' ' ' PHE . 84.6 m-20 -62.42 -41.92 99.06 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.301 0.375 . . . . 0.0 111.065 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CE2' HD11 ' A' ' 39' ' ' LEU . 34.3 t80 -58.77 -46.28 87.86 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.621 0.576 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -66.62 -35.11 79.39 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.892 0.745 . . . . 0.0 111.428 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.42 -44.3 68.19 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.65 0.738 . . . . 0.0 109.659 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.45 -41.66 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.196 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 35' ' ' PHE . 25.7 mt -62.11 -44.54 96.44 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' E' ' 41' ' ' CYS . 15.5 mm -63.25 -43.82 98.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' B' ' 40' ' ' ILE . 73.2 m -56.51 -45.74 80.9 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.737 0.303 . . . . 0.0 110.4 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.09 -35.23 80.47 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.825 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.9 tp -74.54 -30.07 61.62 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.377 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.95 -39.09 90.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.58 -43.04 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.0 m . . . . . 0 CA--C 1.536 0.425 0 O-C-N 123.755 0.659 . . . . 0.0 109.563 177.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.56 -40.66 97.57 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 123.741 0.65 . . . . 0.0 109.35 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.56 -43.29 99.13 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.743 0.652 . . . . 0.0 109.405 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.44 -46.11 90.02 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.53 -42.64 99.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.969 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.0 m -64.3 -40.23 95.51 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.673 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.14 94.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.755 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.62 -42.69 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.868 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.5 ttp180 -60.4 -43.29 96.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.68 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.385 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.961 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 C--O 1.233 0.233 0 CA-C-O 119.768 -0.158 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.404 ' HB2' HD22 ' A' ' 34' ' ' ASN . 4.7 m-85 -70.79 -55.71 7.96 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.935 0.772 . . . . 0.0 112.68 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.33 -45.86 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.62 -42.79 99.79 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.447 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.0 t80 -60.81 -46.09 91.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.753 0.658 . . . . 0.0 110.109 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 98.3 m -62.47 -31.54 72.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.765 0.666 . . . . 0.0 111.717 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' ILE . 52.4 mt -76.59 -68.14 0.63 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.44 -42.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 124.217 0.948 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.8 mt -61.37 -48.49 81.03 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 123.362 0.413 . . . . 0.0 110.372 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' B' ' 37' ' ' LEU . 17.6 mm -61.96 -42.72 95.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.284 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 51.8 m -55.34 -46.37 76.37 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.36 -33.66 75.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.965 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.77 -30.74 62.95 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.468 HD23 HD11 ' C' ' 47' ' ' ILE . 5.6 mp -65.38 -38.6 90.51 Favored 'General case' 0 C--N 1.367 1.35 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.82 -42.67 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 CA--C 1.537 0.475 0 O-C-N 123.898 0.749 . . . . 0.0 109.689 177.836 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.74 -40.1 95.89 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.423 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.482 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.6 tm? -62.32 -42.22 99.19 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 123.615 0.572 . . . . 0.0 109.482 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -62.58 -46.72 87.05 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.113 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -63.12 -41.92 99.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.322 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.1 90.61 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.015 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.19 -42.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.992 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.454 ' HE ' HH22 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.63 -43.13 97.87 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.485 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.454 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.39 0 O-C-N 123.976 0.797 . . . . 0.0 110.015 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 111.031 0.012 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.53 -55.24 9.36 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.713 0.633 . . . . 0.0 112.694 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.66 -47.14 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.918 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.42 -41.64 98.85 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.676 0.61 . . . . 0.0 110.474 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.536 ' CE2' HD11 ' C' ' 39' ' ' LEU . 33.2 t80 -59.77 -47.0 87.42 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.395 0.435 . . . . 0.0 110.743 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -64.79 -32.66 74.45 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.602 0.564 . . . . 0.0 111.624 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.8 mt -70.5 -70.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 68.2 mt -34.81 -42.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 124.811 1.32 . . . . 0.0 110.221 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' C' ' 35' ' ' PHE . 24.9 mt -62.47 -48.52 79.26 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 177.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' B' ' 41' ' ' CYS . 10.2 mm -61.29 -43.2 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 123.919 0.762 . . . . 0.0 109.035 177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 58.0 m -56.16 -46.0 79.48 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.34 -33.37 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.946 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.48 -29.86 61.61 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.575 0.547 . . . . 0.0 111.429 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.3 mp -65.83 -38.49 89.05 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.85 -43.03 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.13 -37.45 87.48 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.65 0.594 . . . . 0.0 109.693 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' C' ' 44' ' ' LEU . 53.4 mt . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.66 -40.54 97.11 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.845 0.715 . . . . 0.0 109.497 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.79 -43.12 99.48 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.47 -46.13 89.92 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.41 -42.79 99.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.047 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 68.5 m -64.38 -40.23 95.41 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.092 0.87 . . . . 0.0 110.533 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.25 94.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.75 -42.44 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.902 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.5 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.47 -43.26 97.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.578 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.5 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.949 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 119.839 -0.124 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.13 -54.86 11.12 Favored 'General case' 0 C--O 1.245 0.858 0 O-C-N 123.85 0.719 . . . . 0.0 112.364 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -47.5 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 123.169 0.293 . . . . 0.0 111.764 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.36 -41.29 98.83 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.252 0.345 . . . . 0.0 110.598 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.7 t80 -57.43 -46.38 83.63 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.084 0.24 . . . . 0.0 111.042 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.77 -50.39 71.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.524 0.515 . . . . 0.0 109.722 179.31 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -58.8 -44.01 90.68 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.914 0.864 . . . . 0.0 110.532 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.24 -42.81 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.51 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -60.61 -44.56 96.14 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.74 -44.4 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.6 m -57.09 -44.89 83.58 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.641 0.588 . . . . 0.0 110.09 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.81 -35.35 80.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.193 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' D' ' 43' ' ' LEU . 8.8 tp -74.41 -29.75 61.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.412 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.56 HD23 HD11 ' E' ' 47' ' ' ILE . 5.7 mp -66.19 -38.57 88.34 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.02 -42.96 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -64.01 -37.44 87.44 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.742 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 44' ' ' LEU . 51.8 mt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.466 0.358 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.85 -40.33 96.31 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.352 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.479 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.7 tm? -61.78 -43.14 99.43 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.77 -46.18 89.21 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.993 0.808 . . . . 0.0 108.981 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.24 -42.75 99.6 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.088 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -40.4 95.94 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.553 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.05 94.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.556 0.535 . . . . 0.0 109.749 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.7 -42.47 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.887 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.489 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.5 ttp180 -60.63 -43.13 97.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.612 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.489 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.377 0 O-C-N 123.948 0.78 . . . . 0.0 109.902 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.047 -0.025 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.89 -54.61 12.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.56 -46.79 91.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 123.57 0.544 . . . . 0.0 111.946 -177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.38 -41.53 98.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.661 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.0 t80 -57.58 -46.14 84.35 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.505 0.503 . . . . 0.0 110.711 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.8 OUTLIER -63.55 -49.11 74.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.776 0.673 . . . . 0.0 109.806 179.243 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.52 -43.31 93.47 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.062 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.7 mt -61.22 -42.65 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 O-C-N 124.395 1.059 . . . . 0.0 108.185 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 29.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mm -63.97 -43.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.3 m -57.49 -45.52 84.78 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.46 -38.0 89.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.32 -51.28 61.66 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.65 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.3 mp -50.33 -38.16 40.51 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.871 0.305 . . . . 0.0 110.438 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.22 -44.14 99.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -65.93 -34.56 78.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.612 0.57 . . . . 0.0 110.071 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.5 mt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.4 -40.44 96.52 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 124.043 0.839 . . . . 0.0 109.183 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -62.05 -43.11 99.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.831 0.707 . . . . 0.0 109.167 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -62.82 -46.05 89.77 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.198 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.38 -42.12 99.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.972 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -64.69 -40.3 95.15 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.148 0.905 . . . . 0.0 110.366 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.58 95.45 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.704 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.37 -42.26 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.021 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -59.73 -43.73 94.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.306 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.355 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.57 -27.83 68.72 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.747 HG23 ' CD1' ' E' ' 37' ' ' LEU . 87.6 mt -63.57 -43.43 98.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.96 -42.22 93.6 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.111 0.882 . . . . 0.0 109.621 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -59.63 -44.38 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.3 t -68.82 -35.75 77.36 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.352 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' B' ' 33' ' ' ILE . 17.5 mt -67.82 -43.67 79.08 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 122.452 1.12 . . . . 0.0 109.654 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -61.32 -42.66 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 112.988 -1.914 . . . . 0.0 109.103 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.39 -44.29 96.79 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.162 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 HD13 ' E' ' 44' ' ' LEU . 1.4 mm -63.87 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.9 m -56.45 -48.94 75.99 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 45' ' ' ILE . 56.0 mt -62.6 -39.31 93.37 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.569 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.2 tp -75.36 -26.36 58.46 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.712 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 40' ' ' ILE . 3.1 mt -72.25 -34.69 68.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.8 mt -62.02 -41.07 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.47 -40.21 95.91 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.827 0.704 . . . . 0.0 109.304 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.8 OUTLIER -62.15 -43.28 99.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -62.54 -46.38 88.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.23 -42.64 99.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.07 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -64.08 -40.77 96.98 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.044 0.84 . . . . 0.0 110.417 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.42 94.48 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.51 -42.58 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.062 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.481 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.6 ttp180 -60.11 -43.37 95.64 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.698 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.481 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.472 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -65.33 -27.7 68.78 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.464 0.477 . . . . 0.0 109.786 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.764 HG23 ' CD1' ' A' ' 37' ' ' LEU . 84.5 mt -63.28 -43.71 98.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.24 -41.94 94.22 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.809 0.693 . . . . 0.0 109.733 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.74 -44.88 93.59 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.545 0.528 . . . . 0.0 109.615 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.31 -37.21 80.37 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 123.714 0.634 . . . . 0.0 111.054 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.755 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.0 mt -66.86 -43.61 83.14 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.6 mt -60.43 -42.17 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 125.349 1.656 . . . . 0.0 108.379 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.67 -43.75 95.77 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.554 HG22 HD12 ' B' ' 44' ' ' LEU . 1.3 mm -63.18 -42.09 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.0 m -58.59 -48.74 79.93 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 45' ' ' ILE . 56.1 mt -61.84 -40.98 97.2 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.928 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.2 tp -66.58 -50.76 62.03 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.554 HD12 HG22 ' B' ' 40' ' ' ILE . 2.3 mt -52.98 -33.72 52.67 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.963 0.347 . . . . 0.0 110.855 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 42' ' ' LEU . 54.6 mt -62.9 -42.02 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.447 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.71 -39.78 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 124.009 0.818 . . . . 0.0 109.153 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.472 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.8 OUTLIER -62.44 -42.75 99.68 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.867 0.73 . . . . 0.0 109.203 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.83 -46.67 86.86 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.69 -41.53 99.15 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.117 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.09 -42.09 99.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.06 90.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.253 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.19 -42.7 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.108 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.474 HH21 HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.27 -43.3 96.32 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.379 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.474 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.426 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.204 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -65.26 -26.86 68.28 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' B' ' 37' ' ' LEU . 89.5 mt -63.16 -44.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.36 -42.06 94.97 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.816 0.698 . . . . 0.0 109.389 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.2 -43.48 92.22 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.599 0.562 . . . . 0.0 109.819 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -50.8 65.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.044 0.84 . . . . 0.0 109.526 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.746 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.8 mt -56.82 -44.75 82.33 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.497 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.52 -43.82 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 125.068 1.48 . . . . 0.0 108.083 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.93 -43.63 98.27 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' B' ' 41' ' ' CYS . 3.5 mm -62.75 -44.28 99.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.1 m -56.65 -47.12 80.46 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.989 0.515 . . . . 0.0 109.744 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' C' ' 45' ' ' ILE . 57.2 mt -62.68 -35.47 79.79 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.594 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -78.37 -28.21 47.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.131 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.526 HD13 HD12 ' D' ' 40' ' ' ILE . 2.7 mp -70.12 -35.61 74.23 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' C' ' 42' ' ' LEU . 64.0 mt -61.03 -41.6 89.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.0 -41.55 98.19 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.355 0.817 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.42 -40.28 96.02 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.818 0.699 . . . . 0.0 109.272 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.8 OUTLIER -62.29 -43.1 99.61 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.817 0.698 . . . . 0.0 109.123 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -62.76 -46.16 89.34 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.27 -42.65 99.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.101 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -64.01 -40.79 97.13 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.993 0.808 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.29 94.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.485 0.491 . . . . 0.0 109.716 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.54 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.013 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.6 ttp180 -60.22 -43.42 96.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.601 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.029 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.57 -26.98 68.1 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' C' ' 37' ' ' LEU . 89.9 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' D' ' 37' ' ' LEU . 21.2 m-80 -59.42 -42.1 91.07 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.389 1.056 . . . . 0.0 109.826 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.93 -44.03 94.59 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.525 0.515 . . . . 0.0 109.779 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.7 t -69.56 -34.73 74.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.59 0.556 . . . . 0.0 111.712 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.752 ' CD1' HG23 ' E' ' 33' ' ' ILE . 15.5 mt -69.6 -43.87 71.89 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -60.49 -41.2 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.882 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.45 -43.27 94.77 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.325 1.016 . . . . 0.0 108.743 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.526 HD12 HD13 ' C' ' 44' ' ' LEU . 10.6 mm -64.17 -42.57 95.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.4 m -57.66 -48.76 78.6 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.96 0.787 . . . . 0.0 109.3 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' D' ' 45' ' ' ILE . 56.9 mt -62.38 -41.65 98.8 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.669 1.23 . . . . 0.0 110.453 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.4 tp -66.17 -50.3 64.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.575 HD13 HG23 ' E' ' 40' ' ' ILE . 9.3 mt -50.92 -35.51 33.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.868 0.467 . . . . 0.0 110.807 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 42' ' ' LEU . 57.1 mt -62.83 -42.09 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.6 m -64.56 -37.72 88.55 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--N 1.36 1.061 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.189 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.48 -40.39 96.52 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.965 0.791 . . . . 0.0 109.316 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.442 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.8 OUTLIER -61.94 -43.26 99.21 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.8 -46.19 89.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.204 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.19 -42.83 99.65 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.001 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.137 0.898 . . . . 0.0 110.511 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.26 94.25 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.809 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.67 -42.46 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.029 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.6 ttp180 -60.29 -43.38 96.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.577 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.422 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.092 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -65.34 -27.39 68.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.752 HG23 ' CD1' ' D' ' 37' ' ' LEU . 87.7 mt -63.21 -43.93 99.04 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -59.68 -41.73 91.33 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.963 0.789 . . . . 0.0 109.628 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -59.89 -43.74 94.62 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.723 0.639 . . . . 0.0 109.962 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -65.09 -48.76 72.56 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.973 0.796 . . . . 0.0 109.901 178.66 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.747 ' CD1' HG23 ' A' ' 33' ' ' ILE . 16.6 mt -57.7 -44.96 86.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.336 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -61.91 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.551 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.96 -44.65 96.31 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.575 HG23 HD13 ' D' ' 44' ' ' LEU . 66.9 mt -66.29 -40.81 87.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.726 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -56.2 -47.67 77.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -62.56 -40.84 98.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.561 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' D' ' 44' ' ' LEU . 12.9 tp -65.98 -50.57 63.85 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 40' ' ' ILE . 2.6 mt -53.37 -33.48 53.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.322 0.249 . . . . 0.0 110.652 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.3 mt -62.66 -41.58 92.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.93 -37.65 88.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.272 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.237 0.429 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.1 -40.56 96.26 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.94 0.775 . . . . 0.0 109.185 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.99 -42.74 99.47 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -62.62 -45.79 91.22 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.94 -41.46 99.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -63.69 -40.29 96.43 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.427 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.46 93.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.749 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.5 -42.5 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.132 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.1 ttp180 -59.26 -42.43 91.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.583 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.494 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 O-C-N 123.89 0.744 . . . . 0.0 109.468 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 119.808 -0.139 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.0 -59.44 2.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 HD11 ' E' ' 37' ' ' LEU . 74.2 mt -63.24 -47.34 92.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.241 0.473 . . . . 0.0 110.443 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 62.2 t80 -56.47 -44.27 80.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.67 -53.69 37.77 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.641 1.213 . . . . 0.0 110.183 178.756 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD1' HG23 ' B' ' 33' ' ' ILE . 20.5 mt -55.08 -46.95 75.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.398 1.094 . . . . 0.0 110.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -57.8 -42.15 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.035 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.3 mt -62.86 -42.22 99.67 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.787 HD11 ' SG ' ' E' ' 41' ' ' CYS . 21.5 mm -64.14 -43.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.309 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 67.9 m -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 0.0 109.356 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.08 -40.17 94.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.591 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.52 -29.03 62.21 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.803 0.69 . . . . 0.0 111.558 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' B' ' 40' ' ' ILE . 8.2 mt -67.91 -40.24 83.45 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -42.64 96.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 114.57 -1.195 . . . . 0.0 107.988 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.217 -0.614 0 O-C-N 123.921 0.763 . . . . 0.0 109.986 178.052 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.92 -40.89 97.06 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.368 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.6 -46.47 88.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.82 -41.05 99.14 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.108 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -63.19 -40.44 97.51 Favored 'General case' 0 C--O 1.223 -0.323 0 O-C-N 124.012 0.82 . . . . 0.0 110.119 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.09 84.19 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.274 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -44.93 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.818 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 11.6 ptt180 -70.46 -28.71 65.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 . . . . . 0 C--N 1.356 0.853 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 111.205 0.076 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -74.35 -59.54 2.68 Favored 'General case' 0 C--O 1.244 0.812 0 O-C-N 123.708 0.63 . . . . 0.0 112.532 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 37' ' ' LEU . 72.3 mt -63.22 -47.12 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.71 -41.02 97.06 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.44 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 55.6 t80 -56.63 -44.41 81.2 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.702 0.626 . . . . 0.0 109.378 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -66.49 -52.64 43.86 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.02 0.825 . . . . 0.0 110.877 178.516 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.629 HD11 HG23 ' C' ' 33' ' ' ILE . 34.5 mt -55.92 -44.46 78.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.41 0.624 . . . . 0.0 110.78 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.45 -42.97 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.126 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.5 mt -62.62 -41.73 99.18 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.513 0.508 . . . . 0.0 110.055 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 44' ' ' LEU . 5.5 mm -63.16 -44.75 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 86.1 m -57.07 -47.98 79.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.86 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.74 -43.49 96.35 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.571 -1.195 . . . . 0.0 111.054 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.36 -48.41 73.05 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.91 -39.55 59.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.515 0.326 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.36 -43.42 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 N--CA 1.469 0.484 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.933 178.146 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.78 -40.41 95.09 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 124.2 0.937 . . . . 0.0 109.264 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.429 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.01 -43.01 99.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.22 -46.29 89.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.91 -41.37 99.42 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.103 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.77 -40.49 96.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.425 0.69 . . . . 0.0 110.306 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.33 92.98 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.51 -42.38 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.708 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -60.44 -41.96 95.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.053 179.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--O 1.225 -0.218 0 CA-C-O 119.682 -0.199 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.24 -58.65 3.15 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.765 0.665 . . . . 0.0 112.185 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.629 HG23 HD11 ' B' ' 37' ' ' LEU . 70.3 mt -63.75 -47.28 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -62.2 -40.62 96.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.308 0.504 . . . . 0.0 110.477 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.8 t80 -56.74 -44.9 82.16 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -52.75 45.05 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.893 0.746 . . . . 0.0 110.433 178.523 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' D' ' 33' ' ' ILE . 33.6 mt -54.94 -45.9 74.89 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.896 0.855 . . . . 0.0 110.342 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.75 -42.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 113.72 -1.582 . . . . 0.0 108.855 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.4 mt -61.29 -42.17 98.21 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.454 HD11 ' SG ' ' B' ' 41' ' ' CYS . 6.0 mm -63.29 -43.87 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 62.7 m -55.97 -49.09 74.54 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.739 0.649 . . . . 0.0 109.485 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.65 -40.62 95.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -72.47 -28.34 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.588 0.555 . . . . 0.0 111.694 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' C' ' 47' ' ' ILE . 10.7 mt -68.61 -40.12 80.56 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.2 -42.3 95.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.6 -37.71 87.34 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.691 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' C' ' 44' ' ' LEU . 37.0 mt . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.94 -40.6 96.1 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.278 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.43 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.09 -42.54 99.32 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -62.5 -46.04 90.27 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.127 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.93 -41.3 99.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.257 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.77 -40.51 96.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.957 0.786 . . . . 0.0 110.359 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.38 93.45 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.47 -42.5 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.798 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.511 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.25 -42.21 94.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.813 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.511 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.305 0 O-C-N 124.024 0.828 . . . . 0.0 110.092 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--O 1.22 -0.465 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.84 -59.15 2.88 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.706 0.629 . . . . 0.0 112.513 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' C' ' 37' ' ' LEU . 70.2 mt -63.13 -47.23 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -62.13 -40.4 95.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.111 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.454 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 68.3 t80 -58.15 -44.41 87.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -64.59 -57.58 8.72 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 124.144 0.902 . . . . 0.0 109.598 178.286 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.613 HD11 HG23 ' E' ' 33' ' ' ILE . 13.8 mt -46.46 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 75.0 mt -33.94 -45.18 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.566 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.6 mt -63.4 -43.53 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.499 HG23 ' CD1' ' C' ' 44' ' ' LEU . 6.5 mm -60.37 -43.67 94.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 29.8 m -57.28 -48.49 78.77 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.35 -38.41 90.02 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.862 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.71 -29.06 62.05 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 123.525 0.516 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mt -68.02 -40.82 82.85 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.83 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.98 -38.61 91.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' D' ' 44' ' ' LEU . 37.8 mt . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -40.41 95.79 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 124.007 0.817 . . . . 0.0 109.145 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.415 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.72 99.53 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.79 -41.3 99.21 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.171 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -64.06 -40.22 95.79 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.878 0.736 . . . . 0.0 110.26 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.39 92.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.15 -42.78 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.877 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.15 -42.06 94.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.741 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.067 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.25 0.092 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -74.78 -59.13 2.87 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.679 0.612 . . . . 0.0 112.44 -178.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.613 HG23 HD11 ' D' ' 37' ' ' LEU . 68.1 mt -63.1 -47.53 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -40.96 95.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.119 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -58.04 -44.25 87.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.672 0.608 . . . . 0.0 109.489 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -64.23 -58.51 6.37 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.387 1.054 . . . . 0.0 109.499 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 33' ' ' ILE . 15.8 mt -46.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -35.41 -44.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 O-C-N 125.164 1.54 . . . . 0.0 110.606 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 31.5 mt -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 118.131 0.423 . . . . 0.0 110.531 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' D' ' 41' ' ' CYS . 6.0 mm -60.29 -44.32 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.802 0.689 . . . . 0.0 109.275 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.7 m -56.86 -47.14 81.11 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.961 0.788 . . . . 0.0 109.439 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.84 -41.49 95.67 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.467 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' E' ' 46' ' ' CYS . 32.0 tp -73.66 -26.14 60.6 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.36 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.715 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.0 mt -68.46 -39.87 81.28 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.23 -42.18 94.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 46' ' ' CYS . . . . . 0.454 ' HB2' HD12 ' E' ' 43' ' ' LEU . 97.8 m -63.3 -36.45 83.72 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.715 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' E' ' 44' ' ' LEU . 48.9 mt . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--O 1.223 -0.335 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.6 -39.85 85.56 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.983 0.802 . . . . 0.0 109.731 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.4 tm? -62.88 -43.24 99.32 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -63.63 -46.23 86.63 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.228 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -63.1 -38.21 90.29 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.286 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -62.53 -42.82 99.77 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 123.997 0.811 . . . . 0.0 109.55 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.81 93.15 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.808 0.693 . . . . 0.0 110.217 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.813 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.574 ' HE ' HH22 ' A' ' 14' ' ' ARG . 48.3 ttp180 -60.94 -36.97 80.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.065 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.574 HH22 ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.212 -0.906 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.783 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -63.12 -50.19 71.45 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.051 0.844 . . . . 0.0 112.365 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 ' CD1' ' E' ' 37' ' ' LEU . 63.1 mt -64.55 -44.61 96.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 123.442 0.464 . . . . 0.0 110.28 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -58.86 -45.89 89.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -59.83 -44.76 93.89 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.808 0.692 . . . . 0.0 110.382 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.89 -41.13 91.93 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' B' ' 33' ' ' ILE . 15.4 mt -65.27 -45.97 82.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.809 0.693 . . . . 0.0 109.234 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.6 mt -57.27 -41.33 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 112.905 -1.952 . . . . 0.0 107.588 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 35' ' ' PHE . 24.0 mt -62.84 -42.1 99.61 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 123.895 0.747 . . . . 0.0 109.801 176.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.592 HG23 HD11 ' E' ' 44' ' ' LEU . 32.9 mm -62.73 -43.97 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 60.8 m -55.24 -49.44 72.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.596 0.56 . . . . 0.0 109.713 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.56 -39.59 88.6 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.974 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.6 tp -74.35 -29.99 61.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.07 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.647 HD11 HG23 ' B' ' 40' ' ' ILE . 24.3 mt -63.29 -40.3 97.0 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.42 -44.92 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.682 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 C--N 1.348 0.5 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.553 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 . . . . . 0 C--O 1.224 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.69 -40.11 86.77 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.009 0.818 . . . . 0.0 109.495 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.443 ' C ' HD13 ' B' ' 7' ' ' LEU . 3.3 tm? -62.78 -43.26 99.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.928 0.767 . . . . 0.0 108.958 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.9 m -63.87 -46.0 86.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.242 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -63.24 -38.52 91.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.286 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -62.58 -42.79 99.77 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.981 0.801 . . . . 0.0 109.451 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.85 94.32 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.493 0.496 . . . . 0.0 110.158 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.93 -43.74 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.803 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.562 ' HE ' HH22 ' B' ' 14' ' ' ARG . 48.2 ttp180 -60.74 -36.95 80.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.073 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.562 HH22 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.213 -0.845 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.694 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 120.424 0.154 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -62.98 -50.2 71.71 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.42 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 ' CD1' ' A' ' 37' ' ' LEU . 61.1 mt -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 O-C-N 123.624 0.577 . . . . 0.0 110.131 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -59.54 -44.81 93.11 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.6 t80 -59.6 -43.99 93.53 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.877 0.736 . . . . 0.0 110.261 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -64.0 -52.99 56.96 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.514 0.509 . . . . 0.0 110.623 179.257 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' C' ' 33' ' ' ILE . 12.2 mt -56.62 -44.07 80.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.63 -41.37 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 125.42 1.7 . . . . 0.0 108.07 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' B' ' 35' ' ' PHE . 26.8 mt -63.16 -41.34 99.23 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 109.79 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 44' ' ' LEU . 37.9 mm -62.75 -45.1 99.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.124 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 70.2 m -55.58 -48.87 74.12 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.511 0.507 . . . . 0.0 109.675 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.6 -39.35 88.34 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.74 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 tp -74.23 -30.21 62.06 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.812 0.445 . . . . 0.0 111.956 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' C' ' 40' ' ' ILE . 16.1 mt -63.61 -39.71 95.07 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.7 -44.5 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m . . . . . 0 N--CA 1.472 0.629 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.73 179.234 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.47 -40.14 85.98 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 123.68 0.613 . . . . 0.0 109.666 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.451 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.68 -43.26 99.26 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.85 -45.91 87.37 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.517 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -63.22 -38.27 90.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.284 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -62.69 -42.62 99.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.925 0.765 . . . . 0.0 109.573 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.14 -42.78 93.52 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.623 0.577 . . . . 0.0 110.101 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.98 -43.85 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.584 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.49 -37.04 79.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.058 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.584 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.912 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.782 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.538 0.519 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -63.3 -49.86 72.35 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.671 0.607 . . . . 0.0 112.456 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.5 mt -64.8 -44.58 96.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.279 0.362 . . . . 0.0 110.198 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -59.1 -45.52 90.67 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' C' ' 39' ' ' LEU . 38.6 t80 -59.15 -44.34 92.09 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.377 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -63.75 -53.26 53.79 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.189 0.93 . . . . 0.0 110.324 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 33' ' ' ILE . 12.4 mt -55.5 -46.42 76.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.63 -42.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 125.396 1.685 . . . . 0.0 108.589 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' C' ' 35' ' ' PHE . 26.3 mt -63.6 -41.06 98.36 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.419 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' B' ' 44' ' ' LEU . 38.1 mm -62.21 -43.76 98.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 66.0 m -56.46 -48.14 77.7 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.45 -39.2 88.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.373 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.37 -30.92 62.18 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 123.118 0.567 . . . . 0.0 112.105 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.657 HD11 HG23 ' D' ' 40' ' ' ILE . 27.1 mt -62.88 -40.24 96.9 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.9 -44.63 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.804 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.4 m -64.09 -33.03 74.84 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' C' ' 44' ' ' LEU . 19.5 mt . . . . . 0 C--N 1.344 0.329 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.58 -40.51 87.63 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.835 0.709 . . . . 0.0 109.667 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.458 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -62.23 -43.79 98.04 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.56 -45.79 88.9 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.36 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -62.66 -39.24 93.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.143 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.4 m -63.2 -41.6 99.18 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.929 0.768 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.06 96.24 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.616 0.572 . . . . 0.0 109.898 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.95 -43.62 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.715 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH22 ' D' ' 14' ' ' ARG . 49.8 ttp180 -60.7 -37.32 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.09 177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.463 HH22 ' HE ' ' D' ' 13' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.208 -1.086 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.69 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -62.84 -50.2 71.88 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.767 0.667 . . . . 0.0 112.258 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.4 mt -64.23 -44.84 97.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 123.7 0.625 . . . . 0.0 110.25 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -59.52 -45.17 92.53 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' D' ' 39' ' ' LEU . 38.1 t80 -59.11 -44.45 91.99 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.959 0.787 . . . . 0.0 110.006 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -63.92 -53.22 53.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.895 0.747 . . . . 0.0 110.78 179.474 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.548 ' CD1' HG23 ' E' ' 33' ' ' ILE . 11.9 mt -56.44 -44.71 80.74 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.09 -42.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.152 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' D' ' 35' ' ' PHE . 28.4 mt -62.87 -41.96 99.59 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.657 HG23 HD11 ' C' ' 44' ' ' LEU . 36.2 mm -62.87 -43.47 98.91 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 65.1 m -55.89 -48.78 75.01 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.86 -39.17 87.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.954 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.9 -30.37 61.27 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.921 0.489 . . . . 0.0 112.011 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.611 HD11 HG23 ' E' ' 40' ' ' ILE . 20.0 mt -62.94 -40.23 97.0 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -65.97 -44.74 92.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.631 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.93 -32.57 74.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.724 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' D' ' 44' ' ' LEU . 19.4 mt . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.48 -40.55 87.3 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.946 0.779 . . . . 0.0 109.689 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.442 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.3 tm? -62.28 -43.69 98.24 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -63.59 -45.62 89.54 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.349 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -63.04 -39.18 93.96 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.273 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -63.55 -41.18 98.45 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.998 0.812 . . . . 0.0 109.767 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.07 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.538 0.524 . . . . 0.0 109.807 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.13 -43.75 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 115.234 -0.893 . . . . 0.0 108.632 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH22 ' E' ' 14' ' ' ARG . 49.7 ttp180 -60.34 -37.3 80.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.169 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.472 HH22 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.75 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.627 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.419 0.152 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -62.93 -50.37 71.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.548 HG23 ' CD1' ' D' ' 37' ' ' LEU . 65.7 mt -64.31 -44.74 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 123.475 0.485 . . . . 0.0 110.323 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -59.53 -45.1 92.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.9 t80 -59.55 -44.01 93.37 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.945 0.778 . . . . 0.0 110.366 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.15 -52.86 57.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.588 0.555 . . . . 0.0 110.519 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.541 ' CD1' HG23 ' A' ' 33' ' ' ILE . 11.9 mt -56.25 -45.79 79.9 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.279 0.561 . . . . 0.0 109.927 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.85 -42.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.146 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' E' ' 35' ' ' PHE . 27.1 mt -63.91 -41.59 97.64 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 119.11 -0.471 . . . . 0.0 109.979 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.611 HG23 HD11 ' D' ' 44' ' ' LEU . 33.6 mm -62.03 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.58 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 63.7 m -54.45 -49.02 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.128 0.893 . . . . 0.0 109.774 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.68 -39.3 88.06 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.986 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 tp -74.93 -30.08 61.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.861 0.464 . . . . 0.0 111.846 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 40' ' ' ILE . 20.1 mt -63.35 -40.11 96.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.74 -44.64 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.651 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 95.3 m -63.94 -32.77 74.42 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.716 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' E' ' 44' ' ' LEU . 19.2 mt . . . . . 0 C--N 1.346 0.417 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.89 -40.91 95.84 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.051 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.7 tm? -60.2 -42.65 95.54 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.724 0.64 . . . . 0.0 110.14 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -62.06 -45.77 92.08 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.12 -44.7 96.07 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.981 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 m -64.55 -40.12 95.01 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.861 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.25 94.57 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.862 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.21 -43.08 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.951 0.782 . . . . 0.0 109.048 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.427 HH21 ' NH2' ' A' ' 14' ' ' ARG . 52.2 ttp180 -60.56 -22.14 63.34 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.628 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 O-C-N 123.846 0.716 . . . . 0.0 110.241 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.29 -52.59 63.1 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.006 0.816 . . . . 0.0 111.545 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' E' ' 37' ' ' LEU . 67.4 mt -67.89 -44.38 85.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 124.107 0.88 . . . . 0.0 111.087 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -60.69 -42.92 98.13 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 32.5 t80 -58.45 -43.98 89.01 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -64.14 -50.56 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.136 0.272 . . . . 0.0 110.315 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.0 mt -58.06 -46.29 85.64 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.525 0.678 . . . . 0.0 110.498 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.13 -42.44 90.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.331 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.5 mt -62.47 -43.88 97.75 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 175.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' E' ' 41' ' ' CYS . 17.0 mm -64.6 -42.85 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 78.0 m -58.95 -47.49 84.9 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 123.925 0.765 . . . . 0.0 109.534 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.4 -40.12 96.34 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.621 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.2 -50.56 65.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.428 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD13 HD12 ' B' ' 40' ' ' ILE . 3.0 mp -51.94 -41.04 61.73 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 119.059 0.845 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.65 -43.75 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.476 0.859 0 O-C-N 123.433 0.458 . . . . 0.0 110.261 178.307 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.63 -41.07 93.09 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.204 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.8 tm? -60.49 -42.1 95.64 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.694 0.621 . . . . 0.0 110.185 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.3 -46.03 90.59 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.805 0.691 . . . . 0.0 109.348 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.07 -44.83 95.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.895 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -64.3 -39.96 94.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.951 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.06 95.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.014 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.37 -43.21 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.945 0.778 . . . . 0.0 109.085 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' B' ' 14' ' ' ARG . 52.3 ttp180 -60.4 -22.17 63.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.657 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 0.0 110.265 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -62.68 -52.2 64.25 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.829 0.705 . . . . 0.0 111.563 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 37' ' ' LEU . 64.0 mt -67.63 -45.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.536 0.523 . . . . 0.0 111.042 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -60.5 -43.14 97.34 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' B' ' 39' ' ' LEU . 34.2 t80 -58.75 -43.71 90.34 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.17 -50.33 68.56 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 123.844 0.715 . . . . 0.0 110.475 178.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 13.8 mt -59.23 -46.5 88.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.31 -44.1 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.408 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' B' ' 35' ' ' PHE . 24.0 mt -63.23 -42.87 99.29 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.677 0.611 . . . . 0.0 109.714 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 44' ' ' LEU . 21.1 mm -63.0 -44.5 99.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.3 m -58.4 -47.92 82.33 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.94 -39.12 93.66 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.368 1.042 . . . . 0.0 109.744 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.27 -28.14 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.915 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.95 -41.49 86.83 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.89 -42.9 98.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.899 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.164 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.16 -41.11 90.82 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.474 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.8 tm? -60.19 -42.36 94.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.58 0.55 . . . . 0.0 110.212 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -62.1 -45.9 91.43 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.998 0.811 . . . . 0.0 109.292 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.28 -44.34 96.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.892 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -64.39 -39.95 94.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.845 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.9 95.53 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.859 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.37 -43.29 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 124.092 0.87 . . . . 0.0 108.831 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.425 HH21 ' NH2' ' C' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -22.05 63.28 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.643 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.425 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 O-C-N 123.899 0.749 . . . . 0.0 110.224 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 119.872 -0.108 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -62.53 -52.56 62.96 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 111.63 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 63.9 mt -67.69 -44.82 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.209 -0.424 . . . . 0.0 110.877 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -60.62 -42.73 97.45 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.317 0.386 . . . . 0.0 110.03 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 33.1 t80 -58.33 -43.71 88.37 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.15 -51.7 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.762 0.663 . . . . 0.0 110.042 179.007 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' D' ' 33' ' ' ILE . 13.4 mt -57.35 -45.71 84.08 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.398 0.618 . . . . 0.0 110.171 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.69 -42.9 93.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.971 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 27.4 mt -63.52 -43.29 97.58 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.71 -44.49 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.9 0.75 . . . . 0.0 109.278 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 76.1 m -59.07 -46.53 88.02 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 123.715 0.634 . . . . 0.0 110.029 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -38.58 91.58 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.762 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.49 -28.95 62.2 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.868 0.73 . . . . 0.0 112.172 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.23 -41.73 89.65 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.32 -43.13 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.661 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.4 -41.54 98.76 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.676 0.61 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.228 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.87 -40.82 92.01 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.062 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -60.26 -42.42 95.32 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.55 0.531 . . . . 0.0 110.175 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.87 -45.99 91.36 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -62.11 -44.7 96.06 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.822 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -64.43 -40.2 95.29 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.758 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.07 95.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.731 0.644 . . . . 0.0 109.948 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.45 -43.23 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.167 0.917 . . . . 0.0 108.86 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.422 HH21 ' NH2' ' D' ' 14' ' ' ARG . 52.3 ttp180 -60.34 -22.14 62.91 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.674 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.422 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.598 0 O-C-N 123.89 0.744 . . . . 0.0 110.323 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.4 tp . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.79 -52.55 62.76 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 123.937 0.773 . . . . 0.0 111.653 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.9 mt -67.54 -45.01 86.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.954 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -60.7 -42.93 98.16 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -58.22 -43.76 87.86 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.159 0.912 . . . . 0.0 109.382 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.74 -52.08 62.05 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.227 0.329 . . . . 0.0 110.15 178.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.8 mt -58.7 -45.04 90.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.8 -44.16 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 CA-C-N 113.515 -1.675 . . . . 0.0 108.49 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.3 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 123.887 0.742 . . . . 0.0 110.361 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.68 -43.99 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.2 m -57.86 -46.77 84.33 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 123.92 0.762 . . . . 0.0 109.943 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.37 -38.11 89.86 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.399 1.062 . . . . 0.0 109.458 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.62 -29.11 61.16 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.003 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' E' ' 40' ' ' ILE . 3.2 mp -65.95 -41.4 91.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.38 -43.24 97.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 108.792 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.65 -41.59 98.2 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.749 0.656 . . . . 0.0 109.656 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.24 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.65 -41.24 92.82 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.101 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.499 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.9 tm? -60.36 -42.42 95.71 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.638 0.586 . . . . 0.0 110.124 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.27 -45.89 91.24 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.23 -44.6 96.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.843 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 57.4 m -64.39 -40.08 95.11 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.688 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.98 95.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.877 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.35 -43.18 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.98 0.8 . . . . 0.0 108.915 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' E' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -21.92 63.16 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.655 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.347 0.481 0 O-C-N 123.837 0.711 . . . . 0.0 110.211 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp . . . . . 0 C--O 1.224 -0.281 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.32 -52.41 63.77 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.202 0.939 . . . . 0.0 111.819 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.564 HG23 ' CD1' ' D' ' 37' ' ' LEU . 66.2 mt -67.95 -44.51 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.03 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -60.29 -43.07 96.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.579 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.2 t80 -60.04 -43.6 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 124.157 0.91 . . . . 0.0 109.124 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -62.04 -53.89 49.16 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.777 0.673 . . . . 0.0 109.831 178.434 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 33' ' ' ILE . 7.5 mt -52.45 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.372 1.574 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -31.19 -47.06 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 O-C-N 124.617 1.198 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.579 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 28.4 mt -62.84 -45.86 90.63 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 117.478 0.126 . . . . 0.0 111.192 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' E' ' 37' ' ' LEU . 11.1 mm -61.98 -44.05 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 60.3 m -58.17 -46.64 85.39 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.833 0.708 . . . . 0.0 109.92 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.01 -37.43 87.38 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.755 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.89 -29.07 61.87 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.102 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 40' ' ' ILE . 3.2 mp -66.01 -41.29 91.21 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.72 -42.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.731 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.7 m -63.59 -41.37 98.35 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.497 0.498 . . . . 0.0 109.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.158 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.42 -39.99 95.09 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.119 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -42.62 99.21 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.895 0.747 . . . . 0.0 109.074 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.57 -46.46 88.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.83 -41.27 99.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.034 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -65.18 -38.24 89.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.157 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.86 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.535 0.522 . . . . 0.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.8 mt -65.17 -43.11 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.0 ttp180 -60.49 -41.58 94.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.611 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.421 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.361 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.648 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 119.773 -0.156 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -71.94 -59.43 2.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 HD11 ' E' ' 37' ' ' LEU . 71.8 mt -64.59 -45.57 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.106 -176.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.79 -41.42 97.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.888 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 43.9 t80 -57.92 -44.75 87.03 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.347 0.405 . . . . 0.0 110.004 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.29 -51.75 58.68 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 178.376 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD11 HG23 ' B' ' 33' ' ' ILE . 22.1 mt -56.41 -46.43 80.18 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -57.38 -44.11 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 125.487 1.742 . . . . 0.0 109.117 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 27.8 mt -61.2 -42.57 98.82 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' E' ' 41' ' ' CYS . 3.3 mm -64.65 -42.9 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 124.151 0.907 . . . . 0.0 109.102 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 83.8 m -56.82 -50.35 72.64 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.955 0.784 . . . . 0.0 109.275 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 45' ' ' ILE . 60.5 mt -62.86 -41.0 99.2 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 124.363 1.039 . . . . 0.0 110.606 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.3 tp -72.79 -24.09 60.88 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.282 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 40' ' ' ILE . 1.8 mt -75.74 -35.76 60.11 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 42' ' ' LEU . 54.9 mt -61.91 -41.68 91.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.626 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.987 0.805 . . . . 0.0 109.238 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.418 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.061 0.851 . . . . 0.0 108.938 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -62.45 -45.99 90.55 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.31 -41.71 98.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.983 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -64.63 -38.54 91.35 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.299 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.87 94.81 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.4 -42.9 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.43 -41.62 94.38 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.619 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.638 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.7 tp . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 119.724 -0.179 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -72.95 -58.95 2.95 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.57 HG23 HD11 ' A' ' 37' ' ' LEU . 68.5 mt -64.57 -45.71 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.88 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' B' ' 37' ' ' LEU . 74.5 m-20 -61.61 -40.94 96.62 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.613 0.642 . . . . 0.0 109.901 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 48.4 t80 -58.84 -45.28 90.42 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.566 0.541 . . . . 0.0 109.588 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -63.26 -53.93 45.27 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.565 0.541 . . . . 0.0 109.89 178.256 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.58 HD11 HG23 ' C' ' 33' ' ' ILE . 16.4 mt -49.78 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.368 1.398 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.5 mt -33.54 -45.4 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 O-C-N 124.93 1.394 . . . . 0.0 111.241 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.1 mt -61.78 -45.3 94.46 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.561 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 mm -62.31 -42.31 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 38.4 m -57.21 -49.11 77.03 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.159 0.912 . . . . 0.0 109.319 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.9 mt -63.23 -41.14 99.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.357 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.4 tp -71.85 -25.0 61.79 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 123.563 0.539 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.467 ' HB3' HD23 ' C' ' 43' ' ' LEU . 1.9 mt -74.57 -36.94 63.08 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' B' ' 42' ' ' LEU . 56.8 mt -62.34 -40.94 89.76 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.349 0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.582 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.76 -39.14 93.25 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.937 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.444 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -62.55 -41.73 99.08 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.875 0.734 . . . . 0.0 109.098 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -62.57 -46.71 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -63.47 -40.55 97.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.059 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.89 -40.61 96.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.86 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.64 91.4 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.722 0.639 . . . . 0.0 110.125 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.83 -43.13 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.534 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -60.78 -41.05 94.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.545 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.534 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.347 0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.93 -57.26 4.75 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.58 HG23 HD11 ' B' ' 37' ' ' LEU . 71.7 mt -65.29 -45.13 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 118.616 -0.706 . . . . 0.0 111.643 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.66 -41.28 97.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.888 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 49.9 t80 -58.08 -44.86 87.81 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 123.708 0.63 . . . . 0.0 109.564 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.16 -58.74 6.21 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.146 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 16.6 mt -45.61 -71.82 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -35.62 -45.1 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.909 1.381 . . . . 0.0 111.098 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.8 mt -63.55 -45.51 90.23 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.561 HG22 HD12 ' C' ' 44' ' ' LEU . 3.3 mm -60.01 -42.81 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 29.8 m -59.1 -48.94 79.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.904 0.752 . . . . 0.0 109.695 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' C' ' 45' ' ' ILE . 53.7 mt -62.91 -39.84 95.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.467 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.6 tp -73.92 -27.05 60.83 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' D' ' 40' ' ' ILE . 2.7 mt -72.71 -36.13 67.76 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 42' ' ' LEU . 55.9 mt -62.92 -41.26 92.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.81 -40.61 95.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' C' ' 44' ' ' LEU . 73.7 mt . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.29 -39.85 94.32 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.26 -42.35 99.25 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.48 -45.98 90.54 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.707 0.629 . . . . 0.0 109.31 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -63.55 -41.22 98.45 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.929 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -65.06 -38.26 90.23 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.223 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -43.03 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.427 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.43 -41.7 94.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.625 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.427 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.662 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 119.884 -0.103 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -71.64 -60.04 2.44 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' C' ' 37' ' ' LEU . 71.6 mt -64.4 -45.5 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.067 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.7 -41.57 97.77 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.052 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 44.9 t80 -56.71 -44.47 81.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -54.9 23.93 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.979 0.799 . . . . 0.0 110.266 178.524 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' E' ' 33' ' ' ILE . 29.2 mt -53.88 -46.18 71.27 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.727 0.642 . . . . 0.0 109.443 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.01 -42.59 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 125.174 1.546 . . . . 0.0 108.772 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.2 mt -62.24 -43.97 97.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.393 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.757 HD11 ' SG ' ' C' ' 41' ' ' CYS . 39.5 mm -63.77 -42.85 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.327 1.017 . . . . 0.0 110.011 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 70.8 m -57.6 -48.67 78.77 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.008 0.818 . . . . 0.0 108.81 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.0 mt -62.75 -41.36 99.17 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.898 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.3 tp -66.14 -50.88 62.45 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.569 HD13 HG23 ' E' ' 40' ' ' ILE . 6.9 mt -52.18 -36.58 52.17 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.623 0.369 . . . . 0.0 110.409 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.4 mt -62.7 -42.62 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.28 -37.95 89.32 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.2 mt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -62.17 -39.87 94.12 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.422 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.25 -42.3 99.2 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.322 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.74 -46.3 88.71 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -63.17 -40.86 98.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.101 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 62.2 m -65.57 -37.9 88.0 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.052 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.45 92.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.41 -42.72 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.42 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.9 ttp180 -61.0 -41.76 97.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.634 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.42 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.412 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.682 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.237 0.442 0 CA-C-O 120.009 -0.043 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.26 -60.95 2.0 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -64.03 -46.24 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.155 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -60.54 -41.81 95.23 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.382 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 38.5 t80 -57.88 -44.79 86.89 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.477 0.485 . . . . 0.0 110.141 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -67.63 -40.24 84.61 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.375 0.422 . . . . 0.0 111.848 179.127 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 33' ' ' ILE . 30.2 mt -65.21 -46.94 78.66 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.769 0.795 . . . . 0.0 109.773 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.4 -42.1 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.944 -1.934 . . . . 0.0 109.181 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.528 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 20.6 mt -61.01 -45.11 96.15 Favored 'General case' 0 C--N 1.347 0.47 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.569 HG23 HD13 ' D' ' 44' ' ' LEU . 62.1 mt -67.48 -40.67 84.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 O-C-N 124.121 0.888 . . . . 0.0 110.221 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 79.3 m -56.09 -49.0 75.06 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.484 ' HA ' HD12 ' E' ' 45' ' ' ILE . 59.3 mt -62.9 -41.45 99.44 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.349 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.0 tp -64.56 -50.69 66.26 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' E' ' 47' ' ' ILE . 3.1 mt -53.84 -34.77 60.3 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.147 0.43 . . . . 0.0 110.521 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' E' ' 42' ' ' LEU . 57.7 mt -62.37 -42.13 94.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.31 -38.36 90.77 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.5 mt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -62.83 -40.05 96.22 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.04 0.837 . . . . 0.0 109.156 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.84 -42.65 99.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.452 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.7 -46.36 88.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.59 -41.43 98.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.117 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.76 -40.76 95.82 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.058 0.849 . . . . 0.0 110.306 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.84 96.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.61 -42.26 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.959 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.0 ttp180 -60.64 -43.44 97.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.917 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 110.898 -0.038 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.43 -51.37 66.01 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.764 0.665 . . . . 0.0 112.774 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' E' ' 37' ' ' LEU . 60.2 mt -64.69 -44.85 96.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 O-C-N 123.437 0.461 . . . . 0.0 110.327 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -60.61 -44.12 96.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 39' ' ' LEU . 48.0 t80 -58.72 -43.59 90.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.89 0.744 . . . . 0.0 109.931 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -64.92 -53.21 49.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.843 0.715 . . . . 0.0 110.517 179.44 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.5 mt -55.98 -45.19 79.03 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.52 -41.44 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.565 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.6 mt -64.15 -41.77 97.04 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.525 HG23 HD11 ' E' ' 44' ' ' LEU . 36.8 mm -62.37 -44.7 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 68.0 m -57.24 -49.78 74.94 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.609 0.568 . . . . 0.0 109.874 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 mt -62.29 -43.65 98.33 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.354 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 44' ' ' LEU . 12.0 tp -66.82 -48.21 69.64 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.572 0.545 . . . . 0.0 109.771 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.586 HD11 HG23 ' B' ' 40' ' ' ILE . 14.3 mt -51.04 -34.9 31.64 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.508 0.323 . . . . 0.0 110.497 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.44 -42.23 94.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.139 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.66 -40.28 96.56 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 124.058 0.849 . . . . 0.0 109.054 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.42 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -42.73 99.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.3 m -62.67 -46.34 88.61 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.104 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.115 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.83 -40.78 95.73 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.933 0.771 . . . . 0.0 110.283 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.99 96.21 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.31 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.018 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.499 ' HE ' HH12 ' B' ' 14' ' ' ARG . 48.9 ttp180 -60.69 -43.4 97.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.499 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.8 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.22 -51.78 64.9 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.789 0.681 . . . . 0.0 112.734 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' A' ' 37' ' ' LEU . 58.3 mt -65.02 -44.64 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.633 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -60.4 -43.54 96.59 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.544 0.528 . . . . 0.0 109.591 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' B' ' 39' ' ' LEU . 46.1 t80 -60.31 -44.72 95.18 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.062 0.851 . . . . 0.0 110.319 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -66.99 -39.73 87.21 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.847 0.717 . . . . 0.0 111.786 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.612 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.9 mt -66.11 -45.51 80.87 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.124 0.964 . . . . 0.0 109.036 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -56.46 -40.67 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 111.59 -2.55 . . . . 0.0 107.908 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -63.44 -41.9 98.66 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.819 177.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 44' ' ' LEU . 22.5 mm -62.99 -44.93 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 63.8 m -55.98 -49.98 72.1 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 123.001 0.52 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.18 -42.62 99.4 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.2 tp -75.88 -23.77 55.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.048 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.665 HD11 HG23 ' C' ' 40' ' ' ILE . 11.9 mt -70.19 -36.03 74.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -61.64 -41.64 91.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.239 0.502 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.472 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -62.07 -39.86 93.84 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.995 0.81 . . . . 0.0 109.314 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.442 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -61.73 -43.12 99.46 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -62.87 -46.3 88.54 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.345 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.58 -41.32 98.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.197 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 68.8 m -64.85 -40.8 95.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.163 0.915 . . . . 0.0 110.27 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.93 96.66 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.99 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.76 -43.38 98.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.925 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.348 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.798 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 110.736 -0.098 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.1 -51.69 65.61 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.612 HG23 ' CD1' ' B' ' 37' ' ' LEU . 59.7 mt -64.84 -44.82 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 123.352 0.408 . . . . 0.0 110.146 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -60.74 -43.38 97.99 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.628 0.58 . . . . 0.0 109.518 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' C' ' 39' ' ' LEU . 50.4 t80 -58.93 -43.83 91.24 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.038 0.836 . . . . 0.0 110.344 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.49 -53.84 41.77 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.658 0.599 . . . . 0.0 110.449 179.099 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.4 mt -55.29 -45.54 76.22 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.641 0.734 . . . . 0.0 109.553 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.9 mt -57.92 -41.1 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.436 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.9 mt -63.97 -41.3 97.59 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.665 HG23 HD11 ' B' ' 44' ' ' LEU . 32.7 mm -62.02 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 68.4 m -57.27 -49.89 74.63 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.66 -41.7 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.681 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -76.17 -24.22 54.78 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.59 0.556 . . . . 0.0 111.773 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.636 HD11 HG23 ' D' ' 40' ' ' ILE . 10.8 mt -69.73 -35.73 75.25 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.97 -41.7 91.95 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.66 -41.15 98.91 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.788 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.48 -40.05 95.42 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 124.026 0.829 . . . . 0.0 109.215 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.06 -42.59 99.36 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.62 -46.26 89.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.261 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.75 -41.34 99.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.112 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -64.84 -40.71 95.61 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.022 0.826 . . . . 0.0 110.362 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.44 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.49 -42.34 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.907 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.0 ttp180 -60.67 -43.32 97.8 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.068 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.409 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.866 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 110.748 -0.093 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -63.37 -51.92 63.87 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.82 0.7 . . . . 0.0 112.86 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' C' ' 37' ' ' LEU . 59.2 mt -64.9 -44.7 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.521 0.513 . . . . 0.0 110.301 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.56 -43.99 96.66 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' D' ' 39' ' ' LEU . 45.9 t80 -58.45 -43.96 89.05 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.745 0.653 . . . . 0.0 110.314 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -53.64 43.71 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.754 0.659 . . . . 0.0 110.715 179.134 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.7 mt -55.82 -45.1 78.41 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.372 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.9 mt -57.65 -41.45 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 108.561 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' D' ' 35' ' ' PHE . 25.9 mt -63.68 -41.54 98.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.671 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.636 HG23 HD11 ' C' ' 44' ' ' LEU . 34.9 mm -62.22 -44.13 98.75 Favored 'Isoleucine or valine' 0 C--N 1.366 1.318 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 66.4 m -56.94 -49.92 74.19 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.86 0.725 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.42 -42.07 99.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.557 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -76.09 -24.1 55.02 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.478 0.486 . . . . 0.0 112.03 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 40' ' ' ILE . 10.8 mt -70.38 -35.35 73.45 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.12 -41.61 91.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.61 -41.12 98.8 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.648 0.593 . . . . 0.0 109.548 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.722 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.6 -40.19 96.14 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 124.103 0.877 . . . . 0.0 109.159 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.411 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.56 -46.34 88.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.216 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.77 -40.77 95.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.356 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.9 96.25 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.52 -42.4 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.85 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.0 ttp180 -60.6 -43.38 97.49 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.044 0.84 . . . . 0.0 109.984 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.323 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.831 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 119.938 -0.077 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -63.52 -51.56 64.94 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.831 0.707 . . . . 0.0 112.795 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.579 HG23 ' CD1' ' D' ' 37' ' ' LEU . 60.1 mt -64.77 -44.78 96.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 O-C-N 123.523 0.514 . . . . 0.0 110.137 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -60.74 -44.03 97.18 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' E' ' 39' ' ' LEU . 49.4 t80 -58.66 -43.87 89.97 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.99 0.806 . . . . 0.0 110.182 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -64.78 -53.6 44.42 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.76 0.663 . . . . 0.0 110.634 179.233 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' A' ' 33' ' ' ILE . 13.2 mt -55.82 -44.88 78.32 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.264 0.554 . . . . 0.0 109.715 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.64 -41.77 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.294 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' E' ' 35' ' ' PHE . 28.9 mt -63.52 -41.64 98.49 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 44' ' ' LEU . 33.8 mm -62.54 -44.05 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 69.8 m -57.83 -49.73 75.69 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.66 0.6 . . . . 0.0 109.459 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.31 -43.61 98.42 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.267 0.979 . . . . 0.0 111.563 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.4 tp -67.29 -48.21 68.33 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.844 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 43' ' ' LEU . 15.9 mt -51.0 -34.36 28.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.542 0.337 . . . . 0.0 110.596 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -42.19 95.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.21 -38.69 91.96 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.7 mt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.97 -40.51 97.93 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.419 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.5 tm? -61.77 -42.87 99.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.781 0.676 . . . . 0.0 109.452 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.33 -47.05 85.95 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.56 -43.67 98.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.107 0.88 . . . . 0.0 110.517 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.07 93.17 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.45 0.469 . . . . 0.0 109.747 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.49 -42.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.857 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.38 -44.1 95.96 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 124.119 0.887 . . . . 0.0 109.771 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.373 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.892 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.86 -50.71 69.85 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.214 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' E' ' 37' ' ' LEU . 55.4 mt -65.81 -44.53 92.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.242 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -59.76 -43.7 94.17 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 39' ' ' LEU . 25.9 t80 -59.2 -44.2 92.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.803 0.689 . . . . 0.0 109.854 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -62.9 -50.84 69.28 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 33' ' ' ILE . 11.4 mt -58.88 -45.29 90.58 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 124.15 0.906 . . . . 0.0 109.272 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.52 -43.19 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.671 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.1 mt -62.62 -43.38 98.95 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.45 -44.46 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 77.8 m -57.37 -45.7 84.17 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.74 -37.83 88.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.096 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.12 -52.27 50.1 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.631 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.53 -38.95 47.42 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.769 0.713 . . . . 0.0 110.393 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.472 0.674 0 O-C-N 123.59 0.556 . . . . 0.0 110.143 177.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.24 -40.31 97.08 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.867 0.729 . . . . 0.0 109.389 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.95 -42.73 99.44 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.972 0.795 . . . . 0.0 109.431 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.62 -46.69 87.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -61.65 -43.59 98.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.224 0.953 . . . . 0.0 109.947 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.9 m -64.93 -40.18 94.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 124.166 0.916 . . . . 0.0 110.381 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.95 93.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.542 0.526 . . . . 0.0 109.842 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.75 -42.7 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 124.274 0.984 . . . . 0.0 108.818 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.3 ttp180 -60.58 -43.75 96.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.159 0.912 . . . . 0.0 109.708 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.343 0.324 0 O-C-N 123.892 0.745 . . . . 0.0 109.896 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -62.82 -50.38 71.2 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.899 0.749 . . . . 0.0 112.249 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 37' ' ' LEU . 52.1 mt -65.7 -44.39 93.36 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.317 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -60.0 -43.57 95.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' B' ' 39' ' ' LEU . 26.5 t80 -59.71 -44.25 93.79 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.712 0.633 . . . . 0.0 109.833 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -63.65 -50.35 69.63 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.726 0.641 . . . . 0.0 110.621 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' C' ' 33' ' ' ILE . 11.1 mt -57.78 -46.53 84.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -58.79 -43.42 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.536 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' B' ' 35' ' ' PHE . 22.7 mt -63.24 -42.49 99.23 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' B' ' 44' ' ' LEU . 19.5 mm -63.93 -43.25 97.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.2 m -57.7 -46.96 83.64 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.845 0.716 . . . . 0.0 109.331 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.87 -38.77 92.09 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.369 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.44 -27.91 60.81 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 124.026 0.829 . . . . 0.0 111.633 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' B' ' 40' ' ' ILE . 3.6 mt -67.89 -39.32 83.69 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.88 -42.65 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 C--N 1.35 0.59 0 O-C-N 123.699 0.624 . . . . 0.0 109.732 178.201 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -63.63 -39.99 95.76 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 124.017 0.823 . . . . 0.0 109.282 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.503 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.5 tm? -62.18 -41.88 98.75 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.977 0.798 . . . . 0.0 109.472 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.92 -47.42 83.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.05 -42.98 99.75 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.081 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -63.4 -42.18 98.77 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.36 1.038 . . . . 0.0 110.228 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.87 90.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.25 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.17 -42.85 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.443 HH21 ' NH2' ' C' ' 14' ' ' ARG . 49.3 ttp180 -60.63 -43.66 97.27 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 124.05 0.844 . . . . 0.0 109.599 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.443 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.36 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.971 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -62.91 -50.7 69.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 124.074 0.858 . . . . 0.0 112.036 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' B' ' 37' ' ' LEU . 54.0 mt -65.72 -44.52 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 119.221 -0.419 . . . . 0.0 110.147 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.8 -43.92 94.23 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.677 0.611 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' C' ' 39' ' ' LEU . 25.9 t80 -59.35 -43.7 92.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.006 0.816 . . . . 0.0 110.05 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.51 -50.82 68.13 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.027 0.829 . . . . 0.0 110.275 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' D' ' 33' ' ' ILE . 11.4 mt -58.45 -45.5 88.43 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.974 0.796 . . . . 0.0 110.141 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.1 -43.41 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.424 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' C' ' 35' ' ' PHE . 23.4 mt -62.03 -43.91 97.83 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.408 HD11 ' SG ' ' B' ' 41' ' ' CYS . 45.5 mt -66.94 -41.56 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.176 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.8 m -56.13 -43.87 78.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.5 mt -66.39 -35.6 80.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.036 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.41 -31.18 63.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.121 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.6 mp -66.64 -39.2 88.16 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.38 -42.91 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.45 -36.67 84.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.944 0.778 . . . . 0.0 109.775 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' C' ' 44' ' ' LEU . 40.4 mt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.31 -40.42 97.29 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.939 0.774 . . . . 0.0 109.672 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.467 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.84 -42.54 99.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.941 0.776 . . . . 0.0 109.495 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.35 -47.21 85.23 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.59 -43.56 98.63 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.967 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -64.78 -40.13 94.75 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 124.008 0.817 . . . . 0.0 110.561 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.92 93.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.82 -42.65 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.826 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.498 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.61 -43.87 96.95 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.153 0.908 . . . . 0.0 109.708 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.498 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.344 0.343 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.9 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -63.37 -50.98 67.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.929 0.768 . . . . 0.0 112.135 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' C' ' 37' ' ' LEU . 57.7 mt -65.3 -44.63 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.428 0.455 . . . . 0.0 110.091 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -59.74 -43.78 94.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' D' ' 39' ' ' LEU . 27.6 t80 -60.35 -44.12 95.83 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -38.87 89.05 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.488 0.493 . . . . 0.0 111.418 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' E' ' 33' ' ' ILE . 13.1 mt -67.16 -45.6 76.54 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.61 -41.6 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.955 1.41 . . . . 0.0 108.053 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' D' ' 35' ' ' PHE . 26.4 mt -63.1 -44.4 95.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.41 -44.08 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.4 m -55.97 -45.96 78.76 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.676 0.61 . . . . 0.0 110.092 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.0 mt -65.84 -34.86 79.12 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.83 -30.92 61.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.505 HD23 HD11 ' E' ' 47' ' ' ILE . 5.4 mp -65.71 -39.06 90.82 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.89 -43.22 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.56 -37.19 86.36 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.894 0.746 . . . . 0.0 110.001 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' D' ' 44' ' ' LEU . 48.2 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.0 -40.44 97.77 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.739 0.649 . . . . 0.0 109.517 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.492 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.6 tm? -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.896 0.747 . . . . 0.0 109.567 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -63.08 -46.61 86.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.76 -43.3 99.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.026 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -65.03 -40.09 94.34 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 124.046 0.842 . . . . 0.0 110.575 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.86 93.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.91 -42.73 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.787 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -60.49 -44.03 96.39 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.158 0.911 . . . . 0.0 109.774 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.815 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -62.98 -50.77 69.46 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.907 0.754 . . . . 0.0 112.144 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.8 mt -65.82 -44.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.086 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -59.39 -43.84 92.88 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' E' ' 39' ' ' LEU . 26.3 t80 -60.99 -44.57 97.19 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.837 0.711 . . . . 0.0 109.729 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -63.75 -40.14 95.98 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.491 179.088 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.565 ' CD1' HG23 ' A' ' 33' ' ' ILE . 6.6 mt -64.25 -70.98 0.19 Allowed 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 104.076 -2.564 . . . . 0.0 104.076 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -35.85 -42.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 125.119 1.512 . . . . 0.0 109.654 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' E' ' 35' ' ' PHE . 23.8 mt -63.35 -46.82 84.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.507 0.323 . . . . 0.0 110.819 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' E' ' 37' ' ' LEU . 7.5 mm -63.28 -43.42 98.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 61.1 m -56.56 -46.35 80.78 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 123.628 0.58 . . . . 0.0 109.689 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.71 -35.52 81.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.689 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.2 -52.15 44.68 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.636 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.2 mp -50.58 -38.93 48.14 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.457 0.571 . . . . 0.0 109.697 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.52 -44.57 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -65.69 -34.45 78.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.917 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' E' ' 44' ' ' LEU . 70.1 mt . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.73 -40.53 97.5 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.09 0.868 . . . . 0.0 109.793 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.66 -43.22 99.27 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.749 0.655 . . . . 0.0 109.508 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.27 -46.69 87.67 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.62 -42.62 99.14 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.098 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.091 0.869 . . . . 0.0 110.573 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.86 92.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.43 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.57 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.435 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -60.76 -40.98 94.51 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.249 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.544 0 O-C-N 123.925 0.766 . . . . 0.0 111.518 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -74.51 -57.54 3.87 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' E' ' 37' ' ' LEU . 63.2 mt -65.0 -45.85 93.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.48 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -60.92 -41.44 96.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.717 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 50.1 t80 -57.77 -45.81 85.45 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -67.93 -38.85 83.4 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.947 0.779 . . . . 0.0 111.811 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.67 HD11 HG23 ' B' ' 33' ' ' ILE . 46.7 mt -67.49 -45.89 74.54 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.288 0.566 . . . . 0.0 109.905 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.14 -41.91 85.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.135 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 25.9 mt -61.66 -43.46 98.82 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 HD13 ' E' ' 44' ' ' LEU . 1.5 mm -65.51 -42.39 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 O-C-N 123.754 0.659 . . . . 0.0 109.692 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 70.8 m -57.36 -49.41 76.25 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.8 mt -63.18 -39.55 94.97 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 124.897 1.373 . . . . 0.0 110.756 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.4 tp -72.88 -25.68 61.17 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.859 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 40' ' ' ILE . 1.6 mt -74.48 -36.09 63.29 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 42' ' ' LEU . 55.5 mt -61.07 -40.72 86.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.089 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.0 -41.02 99.48 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 124.043 0.839 . . . . 0.0 109.846 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.467 ' C ' HD13 ' B' ' 7' ' ' LEU . 3.2 tm? -61.94 -43.27 99.19 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.89 0.744 . . . . 0.0 109.526 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.78 -45.62 91.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -62.56 -42.18 99.38 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.923 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -65.66 -38.41 89.23 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 124.141 0.901 . . . . 0.0 110.55 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.69 91.25 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.618 0.574 . . . . 0.0 109.601 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.37 -42.41 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.8 ttp180 -60.64 -40.96 93.89 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.137 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 O-C-N 123.944 0.777 . . . . 0.0 111.517 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -74.52 -56.8 4.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.67 HG23 HD11 ' A' ' 37' ' ' LEU . 59.7 mt -64.38 -46.34 93.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.95 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -61.22 -40.9 95.73 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.463 0.574 . . . . 0.0 110.416 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 54.3 t80 -57.46 -45.34 84.88 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.69 0.619 . . . . 0.0 109.566 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -66.47 -51.04 61.03 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.014 0.821 . . . . 0.0 110.156 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' B' ' 33' ' ' ILE . 29.7 mt -56.77 -44.55 81.91 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.568 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.55 -42.51 91.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.979 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.0 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.2 mt -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 41' ' ' CYS . 1.8 mm -64.23 -42.87 96.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 79.3 m -59.0 -48.42 81.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 123.604 0.565 . . . . 0.0 109.65 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 45' ' ' ILE . 62.4 mt -63.35 -39.9 95.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.391 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.7 tp -72.87 -25.24 61.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.595 HD13 HG23 ' C' ' 40' ' ' ILE . 1.1 mt -73.89 -36.53 64.79 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.3 mt -61.62 -40.81 87.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.934 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.23 -40.35 97.21 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 109.725 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.462 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -61.92 -42.95 99.69 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -62.66 -46.57 87.58 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -61.88 -42.42 99.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.835 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -65.55 -38.86 90.82 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 124.143 0.902 . . . . 0.0 110.466 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.16 91.5 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.16 -42.47 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.489 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.446 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.6 ttp180 -60.77 -40.84 94.07 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.16 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.446 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 O-C-N 124.099 0.875 . . . . 0.0 111.527 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -74.37 -56.92 4.32 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' B' ' 37' ' ' LEU . 61.2 mt -64.34 -46.72 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.478 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.49 -40.76 92.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.277 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 53.1 t80 -58.62 -44.91 90.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.82 -52.59 59.51 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.831 0.707 . . . . 0.0 110.031 178.676 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' D' ' 33' ' ' ILE . 28.0 mt -52.72 -74.63 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -32.85 -46.92 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.571 1.148 . . . . 0.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 22.1 mt -60.73 -47.59 85.6 Favored 'General case' 0 C--N 1.37 1.457 0 O-C-N 122.191 -0.318 . . . . 0.0 110.429 178.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.595 HG23 HD13 ' B' ' 44' ' ' LEU . 54.6 mt -64.65 -41.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 59.8 m -55.13 -48.21 73.97 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.4 mt -64.53 -37.89 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.189 -1.368 . . . . 0.0 110.814 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.4 tp -73.39 -28.01 61.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.684 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.53 HD12 HG22 ' C' ' 40' ' ' ILE . 0.7 OUTLIER -72.27 -37.12 69.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.297 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' C' ' 42' ' ' LEU . 58.8 mt -60.46 -41.19 86.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.66 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.56 -44.06 96.57 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.479 1.016 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.525 178.297 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -62.76 -40.59 97.74 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.878 0.736 . . . . 0.0 109.661 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.459 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -61.84 -43.14 99.44 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -62.83 -45.72 91.29 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.651 0.594 . . . . 0.0 109.407 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.08 -42.72 99.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.082 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -65.12 -39.06 92.57 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 124.15 0.906 . . . . 0.0 110.524 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -43.99 91.36 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.58 0.55 . . . . 0.0 109.705 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.34 -42.33 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.7 ttp180 -60.76 -41.02 94.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.295 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.545 0 O-C-N 124.049 0.843 . . . . 0.0 111.459 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--O 1.237 0.419 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -74.54 -58.84 3.03 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' C' ' 37' ' ' LEU . 63.6 mt -63.32 -46.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.39 -176.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -61.02 -41.46 96.6 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.303 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 51.4 t80 -57.73 -45.41 85.83 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.616 0.572 . . . . 0.0 109.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -68.4 -39.1 81.77 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.144 0.903 . . . . 0.0 111.929 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 33' ' ' ILE . 42.5 mt -67.21 -44.64 79.05 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.52 -42.12 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 125.356 1.66 . . . . 0.0 108.73 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.4 mt -62.47 -44.14 97.11 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.543 1.152 . . . . 0.0 109.483 178.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.508 HD11 ' SG ' ' C' ' 41' ' ' CYS . 1.5 mm -64.47 -43.24 96.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.2 m -58.22 -49.01 78.57 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.759 0.662 . . . . 0.0 109.316 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' D' ' 45' ' ' ILE . 62.7 mt -62.63 -40.58 97.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.0 tp -64.29 -51.08 65.3 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.55 HD13 HG23 ' E' ' 40' ' ' ILE . 4.7 mt -53.02 -36.68 60.79 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 122.726 0.41 . . . . 0.0 110.384 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.6 mt -61.79 -42.22 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.54 -39.75 94.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.9 mt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.87 -41.34 99.35 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.698 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.466 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -61.8 -43.02 99.68 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.838 0.711 . . . . 0.0 109.736 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.88 -45.9 90.38 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -62.45 -42.13 99.24 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.014 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -65.3 -38.81 91.35 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.086 0.866 . . . . 0.0 110.515 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.03 91.82 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.25 -42.38 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.536 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -60.68 -40.88 93.81 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.229 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.485 0 O-C-N 123.937 0.773 . . . . 0.0 111.393 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -74.77 -57.23 4.04 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 37' ' ' LEU . 55.9 mt -64.26 -46.9 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.393 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -60.76 -41.04 94.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.423 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 50.0 t80 -57.29 -44.95 84.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.552 0.533 . . . . 0.0 109.867 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.45 -50.75 64.2 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 123.643 0.589 . . . . 0.0 110.795 178.572 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' A' ' 33' ' ' ILE . 46.3 mt -58.26 -46.54 85.83 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.675 0.609 . . . . 0.0 109.674 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.87 -43.96 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 124.707 1.255 . . . . 0.0 109.584 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 23.2 mt -61.41 -44.36 97.28 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.57 0.544 . . . . 0.0 110.054 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' D' ' 44' ' ' LEU . 59.7 mt -67.06 -41.01 86.66 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 124.115 0.884 . . . . 0.0 110.182 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.2 m -55.81 -48.84 74.69 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.8 mt -63.31 -40.57 97.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.591 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.3 tp -64.08 -50.89 66.54 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.535 HD12 HG22 ' E' ' 40' ' ' ILE . 1.7 mt -55.53 -34.0 64.3 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.829 0.452 . . . . 0.0 110.4 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' E' ' 42' ' ' LEU . 52.5 mt -62.06 -41.93 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.11 -39.99 96.32 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' E' ' 44' ' ' LEU . 97.2 mt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.31 -40.36 97.12 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.951 0.782 . . . . 0.0 109.228 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.61 -41.95 98.19 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.968 0.792 . . . . 0.0 109.066 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -62.5 -46.27 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.53 -41.96 99.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.924 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -65.51 -38.66 90.34 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 124.06 0.85 . . . . 0.0 110.419 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.96 92.72 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.607 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 124.119 0.887 . . . . 0.0 108.655 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.02 -40.81 90.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.401 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.273 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.605 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp . . . . . 0 C--O 1.234 0.284 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.18 -50.51 63.63 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.52 -45.69 97.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 O-C-N 123.762 0.664 . . . . 0.0 110.039 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.96 -42.07 94.93 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.619 0.574 . . . . 0.0 110.34 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.9 t80 -56.01 -47.24 78.16 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.692 0.62 . . . . 0.0 110.991 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -49.7 69.02 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.75 -43.6 94.21 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.794 0.684 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.32 -43.11 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.289 0.993 . . . . 0.0 108.598 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.7 mt -62.03 -42.28 99.0 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 44' ' ' LEU . 23.8 mm -63.66 -42.47 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.227 -0.656 . . . . 0.0 109.227 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 58.4 m -57.15 -48.4 78.8 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.42 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.218 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.81 -28.51 58.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.841 0.457 . . . . 0.0 111.352 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.674 ' CD1' HD12 ' B' ' 40' ' ' ILE . 4.2 mt -68.35 -39.23 81.94 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.05 -42.71 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--N 1.348 0.54 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.616 178.087 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.34 -40.74 98.12 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 124.053 0.846 . . . . 0.0 109.292 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.57 -41.79 97.91 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.947 0.779 . . . . 0.0 109.155 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.7 m -62.34 -46.61 87.91 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.35 -42.17 99.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.12 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.35 -39.42 93.85 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.085 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.08 86.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.239 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.38 -44.89 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.78 0.675 . . . . 0.0 110.671 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.1 ptt180 -69.47 -27.56 65.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.1 tpp180 . . . . . 0 C--N 1.352 0.709 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 CA--C 1.524 -0.037 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.2 -50.61 63.26 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.913 0.758 . . . . 0.0 112.926 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.02 -46.27 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 123.81 0.694 . . . . 0.0 110.154 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -64.08 -42.32 97.0 Favored 'General case' 0 C--O 1.219 -0.526 0 O-C-N 123.922 0.764 . . . . 0.0 110.787 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 62.7 t80 -56.76 -46.58 81.35 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.539 0.525 . . . . 0.0 111.017 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.75 -52.22 58.2 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.928 0.767 . . . . 0.0 110.118 179.131 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.08 -43.59 87.12 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.675 0.609 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.64 -42.09 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 124.245 0.965 . . . . 0.0 108.662 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 34.1 mt -61.34 -41.64 97.38 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.806 HD11 ' SG ' ' A' ' 41' ' ' CYS . 11.1 mm -64.8 -43.48 96.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.44 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 84.3 m -56.21 -45.37 79.91 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.387 0.613 . . . . 0.0 109.985 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -65.75 -36.2 82.9 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.418 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.03 -30.36 61.05 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.126 0.891 . . . . 0.0 111.829 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG22 ' B' ' 40' ' ' ILE . 5.5 mp -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.01 -42.75 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--N 1.35 0.614 0 O-C-N 123.645 0.59 . . . . 0.0 109.942 177.839 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.23 -40.57 97.82 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 124.021 0.826 . . . . 0.0 109.228 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.424 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.62 -41.76 97.92 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.766 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m -62.35 -46.21 89.71 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.61 -41.96 99.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.091 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 70.1 m -65.56 -38.72 90.37 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.976 0.798 . . . . 0.0 110.272 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.6 92.61 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.21 -42.56 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.461 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.4 ttp180 -60.0 -40.9 90.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.487 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.461 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.256 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.673 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.6 tp . . . . . 0 CA--C 1.524 -0.056 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.59 -50.36 65.38 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.6 -45.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.16 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.34 -41.96 96.5 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 124.032 0.833 . . . . 0.0 110.309 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 59.1 t80 -56.83 -47.04 81.22 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.636 0.585 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -48.79 71.92 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.612 0.57 . . . . 0.0 110.3 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.34 -42.57 95.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.945 0.778 . . . . 0.0 110.583 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.89 -42.79 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.3 mt -63.18 -42.03 99.29 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 72.3 m -57.38 -45.51 84.39 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.69 -36.65 84.95 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 124.287 0.992 . . . . 0.0 110.043 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.03 -29.78 62.1 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.99 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.49 HD23 HD11 ' D' ' 47' ' ' ILE . 4.7 mp -67.38 -39.46 85.63 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.48 -42.77 97.38 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.65 -37.69 88.27 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.627 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' C' ' 44' ' ' LEU . 48.5 mt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -62.64 -40.38 96.82 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.369 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.57 -42.23 98.54 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -62.79 -46.18 89.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.45 -42.04 99.17 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.987 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -65.6 -38.75 90.37 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 124.166 0.916 . . . . 0.0 110.178 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.77 93.83 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.25 -42.57 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.0 -40.84 90.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.417 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.632 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.04 -50.72 63.22 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.27 -45.84 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.176 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.91 -41.6 95.44 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 123.78 0.675 . . . . 0.0 110.17 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 58.4 t80 -56.82 -46.74 81.46 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.829 0.705 . . . . 0.0 111.177 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -50.01 67.33 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 123.515 0.509 . . . . 0.0 110.076 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 67.5 mt -59.4 -41.7 90.05 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.424 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.64 -42.05 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 29.7 mt -62.66 -41.96 99.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.439 HD12 HD13 ' C' ' 44' ' ' LEU . 26.1 mm -63.37 -43.47 98.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 76.3 m -59.1 -44.93 91.98 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.7 -38.92 92.63 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.469 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.95 -51.63 56.77 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.308 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mp -52.01 -38.56 57.26 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.259 0.936 . . . . 0.0 110.523 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.53 -43.75 98.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -65.54 -34.78 79.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.003 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' D' ' 44' ' ' LEU . 69.0 mt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -63.25 -40.42 97.38 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.213 0.946 . . . . 0.0 109.173 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.456 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.45 -42.0 98.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.887 0.742 . . . . 0.0 109.165 179.607 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -62.58 -46.23 89.29 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.59 -41.97 99.29 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.249 0.968 . . . . 0.0 109.91 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -65.78 -38.52 89.24 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.067 0.855 . . . . 0.0 110.231 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.77 92.9 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -42.75 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.187 0.929 . . . . 0.0 108.604 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -59.9 -40.97 90.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.417 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.604 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.12 -50.53 63.68 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.37 -45.8 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.77 -42.06 97.87 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.764 0.665 . . . . 0.0 110.248 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 64.9 t80 -57.55 -47.19 82.71 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.573 0.546 . . . . 0.0 110.504 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -63.76 -53.02 57.6 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.241 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' E' ' 40' ' ' ILE . 69.2 mt -52.41 -72.02 0.06 Allowed 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.6 mt -34.42 -43.95 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.78 0 O-C-N 124.614 1.196 . . . . 0.0 110.701 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 30.4 mt -63.6 -44.71 93.19 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 177.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' D' ' 41' ' ' CYS . 24.9 mm -63.03 -43.07 98.83 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 m -57.59 -45.56 85.12 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.68 -36.78 85.39 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 124.723 1.264 . . . . 0.0 109.431 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.2 -52.34 48.93 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.072 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.5 mp -50.82 -38.83 51.03 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.679 0.672 . . . . 0.0 109.899 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.09 -44.03 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.3 -34.96 79.57 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 123.433 0.458 . . . . 0.0 110.097 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' E' ' 44' ' ' LEU . 69.3 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.83 -40.38 92.58 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.95 -43.13 99.49 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.964 0.79 . . . . 0.0 108.924 179.005 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -62.79 -46.13 89.42 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.377 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.8 -41.28 99.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.201 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -63.58 -40.4 96.86 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.811 0.694 . . . . 0.0 110.262 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.32 93.76 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.784 0.678 . . . . 0.0 109.594 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.82 -42.64 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 124.08 0.863 . . . . 0.0 109.018 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -60.06 -43.01 95.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.358 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.501 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.21 -47.72 81.32 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.903 0.752 . . . . 0.0 112.379 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.4 mt -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -63.42 -44.62 94.08 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.796 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 37.7 t80 -60.82 -45.61 93.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.009 0.818 . . . . 0.0 110.652 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -58.95 -53.99 52.15 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' ILE . 44.0 mt -52.31 -73.35 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -32.05 -43.72 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 29.6 mt -62.17 -44.35 96.8 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 122.092 -0.38 . . . . 0.0 110.483 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.772 HD11 ' SG ' ' E' ' 41' ' ' CYS . 6.1 mm -63.05 -41.77 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 23.8 m -55.81 -49.57 72.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.11 -38.8 92.36 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.757 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.64 -26.28 57.61 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.631 0.582 . . . . 0.0 112.129 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.624 ' CD1' HD12 ' B' ' 40' ' ' ILE . 7.6 mt -70.69 -37.39 73.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.77 -42.07 94.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 CA--C 1.542 0.672 0 O-C-N 123.748 0.655 . . . . 0.0 109.57 177.823 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.11 -40.41 93.66 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.15 -43.16 99.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.79 -46.06 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.272 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.77 -41.6 99.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.086 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -63.51 -40.41 96.98 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.065 0.853 . . . . 0.0 110.261 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.38 94.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.95 -42.59 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.91 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.492 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.18 -42.89 95.95 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.767 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.492 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 O-C-N 123.867 0.729 . . . . 0.0 109.699 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.94 -48.6 78.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.029 0.831 . . . . 0.0 112.155 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.45 -45.42 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.629 0.581 . . . . 0.0 109.571 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -62.89 -44.95 94.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.742 0.651 . . . . 0.0 110.144 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' B' ' 39' ' ' LEU . 36.4 t80 -61.66 -47.19 86.47 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.981 0.8 . . . . 0.0 110.553 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -61.66 -37.95 85.94 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 40' ' ' ILE . 33.3 mt -65.96 -72.07 0.17 Allowed 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 175.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -31.92 -41.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 125.078 1.486 . . . . 0.0 110.88 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -62.18 -44.89 95.58 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.574 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.763 HD11 ' SG ' ' A' ' 41' ' ' CYS . 3.0 mm -63.54 -41.66 93.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 123.461 0.704 . . . . 0.0 109.127 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 21.9 m -55.18 -49.67 71.31 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.5 -40.42 97.04 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.472 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 43' ' ' LEU . 12.7 tp -73.86 -26.79 60.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.146 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' C' ' 40' ' ' ILE . 8.8 mt -71.15 -37.86 72.22 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -41.84 94.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.541 0.616 0 O-C-N 123.791 0.682 . . . . 0.0 109.673 177.644 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.32 -40.42 94.16 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.418 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.23 -43.03 99.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -62.66 -46.24 89.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.59 -41.66 99.1 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.27 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -63.36 -40.43 97.24 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.148 0.905 . . . . 0.0 110.333 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.49 93.45 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.705 0.628 . . . . 0.0 109.834 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.82 -42.69 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.958 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.496 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -59.84 -42.81 94.42 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ARG . . . . . 0.496 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.647 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -62.63 -48.02 81.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.954 0.784 . . . . 0.0 112.537 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.65 -45.27 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -63.29 -44.28 95.49 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.798 0.686 . . . . 0.0 110.026 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' C' ' 39' ' ' LEU . 37.2 t80 -61.05 -46.2 91.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.79 0.681 . . . . 0.0 110.863 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -59.29 -53.43 58.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.145 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.427 ' HB3' ' SG ' ' D' ' 36' ' ' CYS . 44.0 mt -52.37 -73.21 0.04 OUTLIER 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -33.33 -44.01 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.837 0 O-C-N 124.077 0.861 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.4 mt -61.3 -44.2 97.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.81 HD11 ' SG ' ' B' ' 41' ' ' CYS . 4.8 mm -62.99 -42.03 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.0 m -55.92 -48.48 75.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -64.03 -39.9 95.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.838 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.98 -26.72 59.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.908 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' D' ' 40' ' ' ILE . 9.6 mt -70.21 -38.43 75.28 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.05 -41.75 94.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.37 -38.48 89.72 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' C' ' 44' ' ' LEU . 58.9 mt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.23 -40.4 93.88 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -62.08 -43.15 99.45 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.209 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.71 -46.03 90.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.174 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -62.95 -41.2 99.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.172 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -63.88 -40.35 96.34 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.003 0.814 . . . . 0.0 110.391 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.35 93.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.51 0.506 . . . . 0.0 109.674 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.75 -42.68 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.979 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.08 -42.87 95.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.751 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.418 0 O-C-N 123.98 0.8 . . . . 0.0 109.641 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.89 -48.47 78.84 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.963 0.789 . . . . 0.0 111.93 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.43 -46.52 95.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 O-C-N 123.76 0.662 . . . . 0.0 109.382 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -61.99 -44.16 97.33 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 124.201 0.938 . . . . 0.0 110.043 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' D' ' 39' ' ' LEU . 35.2 t80 -60.73 -45.32 94.73 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.78 0.675 . . . . 0.0 110.612 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -59.73 -54.17 49.42 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.793 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' E' ' 33' ' ' ILE . 16.9 mt -51.31 -72.82 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.24 -43.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 125.2 1.563 . . . . 0.0 110.933 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' D' ' 35' ' ' PHE . 31.3 mt -62.42 -44.52 96.24 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 177.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.8 HD11 ' SG ' ' C' ' 41' ' ' CYS . 4.6 mm -63.5 -41.03 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 33.5 m -57.93 -47.1 83.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.803 0.689 . . . . 0.0 109.48 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.29 -41.35 96.92 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.335 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' D' ' 43' ' ' LEU . 7.5 tp -65.23 -51.01 63.63 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.63 0.581 . . . . 0.0 109.454 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' E' ' 40' ' ' ILE . 10.0 mt -51.46 -37.69 50.09 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.045 0.538 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.57 -42.74 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.26 -37.67 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' D' ' 44' ' ' LEU . 84.5 mt . . . . . 0 C--N 1.357 0.914 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.01 -40.34 93.19 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.417 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.05 -43.21 99.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 m -62.84 -45.97 90.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.334 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.86 -41.31 99.33 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.182 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -63.71 -40.32 96.48 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.994 0.809 . . . . 0.0 110.22 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.23 94.56 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.95 -42.73 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.016 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.17 -42.85 95.84 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.714 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.701 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -62.35 -49.29 76.17 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.958 0.786 . . . . 0.0 112.289 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' D' ' 37' ' ' LEU . 76.8 mt -64.07 -44.74 97.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 123.465 0.478 . . . . 0.0 109.981 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.63 -44.64 96.61 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.874 0.734 . . . . 0.0 109.465 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.1 t80 -60.6 -45.25 94.69 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.81 0.694 . . . . 0.0 110.804 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -59.81 -55.19 37.26 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 121.27 0.557 . . . . 0.0 109.843 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -56.89 -44.33 82.18 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.2 0.6 . . . . 0.0 110.458 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -58.73 -40.83 80.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.142 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' E' ' 35' ' ' PHE . 30.2 mt -63.86 -40.5 96.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.794 HD11 ' SG ' ' D' ' 41' ' ' CYS . 5.0 mm -64.39 -42.29 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 57.9 m -57.68 -47.51 82.11 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.37 -43.64 97.03 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.149 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.2 tp -66.46 -50.18 64.19 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.618 ' CD1' HD12 ' A' ' 40' ' ' ILE . 12.4 mt -50.54 -37.17 37.89 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 118.198 0.454 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.31 -43.31 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.25 -35.56 81.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.587 0.554 . . . . 0.0 109.634 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.7 mt . . . . . 0 C--N 1.36 1.041 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.37 -41.18 96.66 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 124.02 0.825 . . . . 0.0 109.451 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.3 tm? -61.33 -45.37 94.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.37 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.77 -46.61 87.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.786 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.42 -46.02 91.86 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -62.78 -41.1 99.09 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.221 0.95 . . . . 0.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.17 76.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.822 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.61 -42.83 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.147 0.904 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.61 -45.78 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.488 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 . . . . . 0 CA--C 1.539 0.528 0 O-C-N 123.734 0.646 . . . . 0.0 110.04 178.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -78.77 -60.27 2.45 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.634 HG23 HD11 ' E' ' 37' ' ' LEU . 56.0 mt -62.7 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.522 -175.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -61.33 -40.37 93.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.272 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 64.8 t80 -56.86 -44.36 82.12 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.202 0.939 . . . . 0.0 109.642 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -67.45 -50.95 56.95 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.379 1.049 . . . . 0.0 110.749 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.624 HD11 HG23 ' B' ' 33' ' ' ILE . 52.7 mt -56.36 -45.09 80.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.445 0.465 . . . . 0.0 110.455 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.1 -44.44 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 126.161 2.163 . . . . 0.0 108.289 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 31.8 mt -63.03 -43.1 99.61 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 178.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' SG ' ' E' ' 41' ' ' CYS . 1.7 mm -63.18 -42.85 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 71.3 m -57.47 -47.94 80.52 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.605 0.565 . . . . 0.0 109.489 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 45' ' ' ILE . 55.8 mt -63.0 -39.78 95.8 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.658 1.224 . . . . 0.0 110.874 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' E' ' 44' ' ' LEU . 15.2 tp -75.33 -24.88 57.43 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.586 0.554 . . . . 0.0 111.513 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' B' ' 43' ' ' LEU . 6.1 mt -72.21 -34.78 68.61 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 42' ' ' LEU . 61.5 mt -62.45 -41.38 91.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.798 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -61.18 -41.12 96.23 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.881 0.738 . . . . 0.0 109.538 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.446 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.3 tm? -61.76 -44.56 96.65 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.65 -46.33 88.72 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.805 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -63.01 -43.36 98.99 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.502 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -64.43 -36.79 85.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.952 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.5 57.5 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.95 -45.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.089 0.868 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -60.93 -42.17 97.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.253 0.345 . . . . 0.0 110.537 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 . . . . . 0 CA--C 1.537 0.471 0 O-C-N 123.63 0.581 . . . . 0.0 109.632 178.333 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.86 -60.01 2.51 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' LEU . 53.6 mt -62.34 -46.74 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.12 -175.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -61.31 -40.27 93.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.107 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 67.1 t80 -56.87 -44.41 82.2 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.979 0.8 . . . . 0.0 109.663 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -67.77 -51.63 46.76 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.483 178.625 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD1' HG23 ' C' ' 33' ' ' ILE . 46.0 mt -55.88 -43.18 76.95 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -42.46 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.113 1.508 . . . . 0.0 108.574 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 33.0 mt -62.99 -43.71 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 123.62 0.575 . . . . 0.0 109.875 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.536 HD11 ' SG ' ' A' ' 41' ' ' CYS . 2.1 mm -62.59 -43.45 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.7 m -57.54 -48.69 78.62 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' B' ' 45' ' ' ILE . 57.9 mt -62.5 -41.75 99.03 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 124.64 1.212 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.4 tp -65.95 -49.79 66.65 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.484 HD13 HG23 ' C' ' 40' ' ' ILE . 4.4 mt -51.99 -34.33 42.13 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.012 0.369 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' B' ' 42' ' ' LEU . 60.1 mt -62.88 -42.56 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.36 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.33 -40.25 89.96 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 124.185 0.928 . . . . 0.0 109.996 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.43 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.2 tm? -62.17 -45.91 91.3 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.718 0.637 . . . . 0.0 109.316 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -63.16 -46.98 84.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -61.54 -44.69 96.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.464 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t -62.38 -42.84 99.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.127 0.892 . . . . 0.0 110.638 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.85 78.03 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.96 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.75 -42.95 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.042 0.839 . . . . 0.0 110.111 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -55.85 -43.85 77.47 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.257 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.283 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -80.04 -59.44 2.72 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' B' ' 37' ' ' LEU . 52.5 mt -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 118.82 -0.61 . . . . 0.0 112.299 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -60.88 -40.36 92.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.992 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 71.8 t80 -57.57 -44.14 85.09 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.705 0.628 . . . . 0.0 109.393 177.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -65.05 -57.35 8.89 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 123.664 0.602 . . . . 0.0 109.813 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' D' ' 33' ' ' ILE . 37.9 mt -46.55 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -32.76 -46.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 124.962 1.414 . . . . 0.0 110.456 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.2 mt -63.87 -44.72 92.23 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 120.536 0.207 . . . . 0.0 111.384 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.529 HD11 ' SG ' ' B' ' 41' ' ' CYS . 2.6 mm -61.08 -43.27 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.1 m -56.8 -47.84 79.31 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.018 0.824 . . . . 0.0 109.309 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.9 mt -64.57 -37.68 88.39 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.13 -26.64 56.55 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.415 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.697 ' CD1' HD12 ' D' ' 40' ' ' ILE . 6.4 mt -69.75 -36.18 75.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' C' ' 42' ' ' LEU . 65.3 mt -61.78 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.7 -41.07 97.11 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.358 0.973 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.649 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.24 -41.19 96.45 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.787 0.679 . . . . 0.0 109.743 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.3 tm? -61.42 -45.28 94.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.7 0.625 . . . . 0.0 109.319 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.82 -46.7 86.74 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -61.35 -45.92 92.38 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.357 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -62.7 -41.08 98.94 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.148 0.905 . . . . 0.0 111.182 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.78 77.95 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.789 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.77 -42.75 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 124.111 0.882 . . . . 0.0 110.139 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.6 -45.92 77.37 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.254 0.971 . . . . 0.0 110.529 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 . . . . . 0 CA--C 1.536 0.43 0 O-C-N 123.666 0.604 . . . . 0.0 110.205 178.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -80.23 -59.86 2.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' C' ' 37' ' ' LEU . 57.0 mt -62.66 -46.22 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.292 -175.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -61.21 -41.1 96.24 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.555 0.616 . . . . 0.0 110.24 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.73 -43.84 81.06 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.829 0.705 . . . . 0.0 109.617 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -67.0 -53.23 33.44 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.634 0.584 . . . . 0.0 110.587 178.627 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.545 HD11 HG23 ' E' ' 33' ' ' ILE . 40.6 mt -55.26 -46.04 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.53 -42.96 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 125.27 1.607 . . . . 0.0 108.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.02 -42.5 99.82 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 123.549 0.531 . . . . 0.0 110.007 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' C' ' 41' ' ' CYS . 28.0 mm -64.68 -42.57 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 77.8 m -56.51 -47.85 78.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 45' ' ' ILE . 58.9 mt -63.69 -40.05 95.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.426 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' C' ' 44' ' ' LEU . 15.7 tp -75.8 -25.36 56.3 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.492 0.495 . . . . 0.0 111.467 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.501 ' CD1' HG23 ' E' ' 40' ' ' ILE . 5.4 mt -71.61 -34.65 70.04 Favored 'General case' 0 C--N 1.347 0.492 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' D' ' 42' ' ' LEU . 61.7 mt -62.01 -41.13 89.84 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.75 -41.11 99.04 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.28 -41.31 96.73 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.094 0.872 . . . . 0.0 109.616 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.441 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.3 tm? -61.58 -45.26 94.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.92 -46.51 87.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.729 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.74 -45.34 94.33 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.346 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -63.05 -41.22 99.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 124.212 0.945 . . . . 0.0 111.069 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.87 77.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.745 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.78 -42.75 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.141 0.901 . . . . 0.0 109.934 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -55.46 -44.01 76.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.183 0.927 . . . . 0.0 110.026 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.466 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.54 -59.31 2.8 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' D' ' 37' ' ' LEU . 58.9 mt -64.11 -45.38 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.839 -175.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -61.02 -40.52 93.89 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.664 0.665 . . . . 0.0 109.885 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 70.7 t80 -57.97 -44.27 86.97 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.869 0.731 . . . . 0.0 109.247 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.86 -55.33 17.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 118.177 -0.915 . . . . 0.0 109.713 178.156 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 33' ' ' ILE . 36.9 mt -47.75 -73.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -32.97 -46.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 125.637 1.836 . . . . 0.0 110.116 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.1 mt -64.38 -44.29 91.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 122.438 -0.164 . . . . 0.0 110.849 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.544 HD11 ' SG ' ' D' ' 41' ' ' CYS . 2.0 mm -61.66 -43.65 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 50.1 m -57.04 -46.95 82.03 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 123.617 0.573 . . . . 0.0 109.544 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' E' ' 45' ' ' ILE . 53.2 mt -64.15 -39.1 93.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.323 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' D' ' 44' ' ' LEU . 14.9 tp -74.64 -25.03 58.94 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.525 0.516 . . . . 0.0 111.456 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.444 ' CD1' HD13 ' A' ' 40' ' ' ILE . 4.2 mt -72.05 -34.76 69.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' E' ' 42' ' ' LEU . 64.1 mt -62.19 -41.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.45 -40.68 97.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.599 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -34.71 76.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.38 -42.45 96.15 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.26 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.29 -45.23 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 123.949 0.78 . . . . 0.0 108.898 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -59.67 -47.65 84.8 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.816 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.85 -40.74 98.4 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.784 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.469 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.86 -43.11 99.5 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.086 0.866 . . . . 0.0 109.587 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -62.42 -45.57 92.48 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.39 -42.96 99.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.027 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -64.59 -40.07 94.86 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.101 0.875 . . . . 0.0 110.713 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.5 93.87 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.89 -42.78 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 124.149 0.906 . . . . 0.0 108.896 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -59.34 -42.1 90.73 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.541 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -69.47 -40.96 76.81 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.191 178.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.4 134.43 54.56 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.851 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -133.45 126.74 31.83 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.59 139.7 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 123.573 0.546 . . . . 0.0 111.263 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -140.64 167.85 21.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.047 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.9 mtt -57.58 139.76 80.93 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.665 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.56 -62.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.11 0 C-N-CA 122.265 1.977 . . . . 0.0 112.61 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.68 -40.66 92.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.465 HE22 ' N ' ' B' ' 24' ' ' ALA . 78.0 mt-30 -99.56 43.79 1.05 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' N ' HE22 ' E' ' 23' ' ' GLN . . . -65.36 -63.24 1.15 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.48 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' E' ' 27' ' ' ASN . 0.0 OUTLIER -62.71 -16.15 56.06 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.592 0.558 . . . . 0.0 111.46 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.23 -48.62 41.43 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' HA ' ' HE ' ' B' ' 25' ' ' ARG . 0.1 OUTLIER -62.98 -39.32 94.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 113.856 -1.52 . . . . 0.0 110.041 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 28' ' ' LEU . 3.5 mm? -64.86 -36.8 85.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.534 ' HG2' HD12 ' A' ' 33' ' ' ILE . 6.6 tt0 -66.59 -39.68 88.54 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.67 -43.62 98.33 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.98 -39.71 93.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.456 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -82.85 -58.72 2.76 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 29' ' ' GLN . 58.7 mt -61.92 -47.1 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 118.923 -0.56 . . . . 0.0 112.503 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.76 -41.41 99.21 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.0 t80 -57.01 -45.72 82.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 123.289 0.368 . . . . 0.0 110.053 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -51.41 61.55 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.407 1.067 . . . . 0.0 110.182 179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' B' ' 33' ' ' ILE . 71.3 mt -58.64 -44.83 90.17 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 123.606 0.566 . . . . 0.0 111.16 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.28 -42.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.464 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.0 mt -63.27 -42.73 99.17 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG23 HD13 ' E' ' 44' ' ' LEU . 1.2 mm -63.87 -43.99 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 123.681 0.613 . . . . 0.0 109.533 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.7 m -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.6 mt -63.47 -39.06 93.45 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.549 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' LEU . 13.9 tp -73.31 -25.99 60.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.243 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' CD1' HD13 ' B' ' 40' ' ' ILE . 1.8 mt -73.56 -36.68 65.64 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 42' ' ' LEU . 58.5 mt -61.55 -41.14 89.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.52 -42.25 98.54 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.515 HG13 HD11 ' E' ' 48' ' ' ILE . 82.6 mt -64.47 -43.63 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.529 HD11 HG13 ' B' ' 47' ' ' ILE . 1.9 mm -62.27 -45.65 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 124.051 0.844 . . . . 0.0 110.739 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.67 -46.95 95.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.804 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HB3' HD21 ' E' ' 51' ' ' LEU . 82.3 mmm -62.64 -50.43 71.25 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.079 0.862 . . . . 0.0 109.202 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' B' ' 50' ' ' MET . 9.0 tt -55.36 -41.65 72.86 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.014 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.549 0.909 0 CA-C-O 117.682 -1.151 . . . . 0.0 109.797 178.463 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.83 -34.45 75.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.19 -42.53 96.61 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.328 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.3 -45.44 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 124.004 0.815 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -59.34 -47.96 83.42 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 124.235 0.96 . . . . 0.0 109.743 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.85 -40.71 98.29 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.047 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.446 ' C ' HD13 ' B' ' 7' ' ' LEU . 3.2 tm? -62.03 -43.29 99.16 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.287 0.992 . . . . 0.0 109.552 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.16 -45.33 93.89 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.52 -42.99 99.88 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.172 0.92 . . . . 0.0 109.864 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -40.16 95.04 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.062 0.851 . . . . 0.0 110.609 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.49 94.48 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.871 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.91 -42.69 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.859 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.0 ttp180 -59.4 -42.2 91.19 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.36 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -69.45 -41.07 76.73 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.904 0.753 . . . . 0.0 110.197 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 134.55 54.75 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.01 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.25 126.71 32.1 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.62 139.52 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.195 0.522 . . . . 0.0 111.151 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -140.74 168.0 20.83 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 15.4 mtt -57.44 139.49 80.57 Favored Pre-proline 0 N--CA 1.482 1.15 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.695 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.95 -63.82 0.04 OUTLIER 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.17 1.913 . . . . 0.0 112.427 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.25 -40.18 93.67 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.681 0.613 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.487 HE22 ' N ' ' C' ' 24' ' ' ALA . 79.3 mt-30 -99.32 42.52 1.1 Allowed 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.263 0.977 . . . . 0.0 109.622 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.465 ' N ' HE22 ' A' ' 23' ' ' GLN . . . -64.31 -62.7 1.44 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.527 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -63.05 -15.52 56.81 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.256 0.347 . . . . 0.0 111.434 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.64 -46.77 44.7 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.495 ' HA ' ' HE ' ' C' ' 25' ' ' ARG . 0.1 OUTLIER -64.09 -39.49 94.16 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.106 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' B' ' 28' ' ' LEU . 3.5 mm? -64.8 -37.82 88.89 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.577 ' HG2' HD12 ' B' ' 33' ' ' ILE . 6.1 tt0 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.53 -43.46 98.76 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.75 -41.34 99.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.431 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -80.94 -59.42 2.68 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.577 HD12 ' HG2' ' B' ' 29' ' ' GLN . 61.9 mt -62.07 -48.08 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.97 -40.87 97.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.291 0.496 . . . . 0.0 110.623 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 56.1 t80 -57.65 -46.58 84.03 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 123.724 0.64 . . . . 0.0 109.797 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.03 -37.21 81.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.944 0.777 . . . . 0.0 112.307 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 39.9 mt -67.79 -46.6 71.5 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.669 0.747 . . . . 0.0 109.727 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.32 -42.19 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.824 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.3 mt -62.1 -42.85 99.63 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.53 0.518 . . . . 0.0 110.052 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 44' ' ' LEU . 1.1 mm -64.79 -43.29 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 80.0 m -58.01 -48.66 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.939 0.774 . . . . 0.0 109.795 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.0 mt -63.31 -39.98 96.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.465 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.4 tp -72.84 -25.05 60.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.21 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.618 HD13 HG23 ' C' ' 40' ' ' ILE . 1.6 mt -74.14 -36.06 64.13 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.8 mt -62.54 -41.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.529 HG13 HD11 ' A' ' 48' ' ' ILE . 76.1 mt -63.86 -43.38 97.8 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.719 0.637 . . . . 0.0 109.401 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.492 HD11 HG13 ' C' ' 47' ' ' ILE . 1.8 mm -61.56 -44.99 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.263 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.93 -44.18 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.559 ' HB3' HD21 ' A' ' 51' ' ' LEU . 94.3 mmm -71.14 -27.56 63.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.726 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -42.69 75.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.423 179.263 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -61.66 -34.11 75.13 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.63 -42.32 95.57 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.302 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.99 -44.07 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.31 -47.47 85.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.258 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -63.78 -40.23 96.18 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.811 0.694 . . . . 0.0 109.743 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.46 -42.13 99.26 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.165 0.916 . . . . 0.0 109.574 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.93 -46.29 88.49 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.77 -42.3 99.62 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 124.263 0.977 . . . . 0.0 109.91 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.019 0.928 . . . . 0.0 110.421 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.4 90.87 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.101 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -42.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.157 0.911 . . . . 0.0 109.041 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.462 HH21 HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -59.58 -41.71 90.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.397 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.462 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER -69.29 -40.96 77.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.306 178.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 134.26 54.3 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -133.95 126.71 30.92 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.59 139.49 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.401 0.619 . . . . 0.0 111.29 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -140.37 167.81 21.27 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.085 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 16.3 mtt -57.54 139.28 81.23 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.421 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.39 -62.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.323 2.015 . . . . 0.0 112.469 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.15 -40.61 94.62 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.627 0.579 . . . . 0.0 110.292 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLN . . . . . 0.469 HE22 ' N ' ' D' ' 24' ' ' ALA . 77.2 mt-30 -99.87 43.42 1.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.846 1.341 . . . . 0.0 110.073 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.487 ' N ' HE22 ' B' ' 23' ' ' GLN . . . -65.91 -62.84 1.27 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.495 ' HE ' ' HA ' ' B' ' 27' ' ' ASN . 0.0 OUTLIER -62.72 -15.44 52.9 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 123.724 0.64 . . . . 0.0 111.616 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.71 -47.41 31.6 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.488 ' HA ' ' HE ' ' D' ' 25' ' ' ARG . 0.1 OUTLIER -62.37 -38.84 91.14 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 124.919 1.387 . . . . 0.0 110.655 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' C' ' 28' ' ' LEU . 3.5 mm? -64.47 -37.47 87.65 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.33 -39.38 89.19 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.66 -44.01 97.36 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.8 -39.66 92.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.165 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -82.04 -59.23 2.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 57.3 mt -62.49 -46.78 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.91 -41.46 96.15 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.987 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 57.6 t80 -58.75 -45.53 89.5 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 123.437 0.461 . . . . 0.0 109.842 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.81 -53.29 56.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.318 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.443 HD11 HG23 ' D' ' 33' ' ' ILE . 61.7 mt -53.3 -74.47 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -32.73 -45.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 124.746 1.279 . . . . 0.0 111.666 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 24.9 mt -61.95 -47.11 86.36 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.618 HG23 HD13 ' B' ' 44' ' ' LEU . 49.4 mt -64.31 -41.93 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.122 0.889 . . . . 0.0 109.699 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 57.8 m -55.43 -47.95 75.18 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' C' ' 45' ' ' ILE . 50.3 mt -64.08 -37.81 88.78 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.546 1.154 . . . . 0.0 110.742 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.0 tp -73.59 -26.86 61.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.531 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.612 ' CD1' HD13 ' D' ' 40' ' ' ILE . 1.0 OUTLIER -71.72 -38.01 70.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' C' ' 42' ' ' LEU . 63.4 mt -61.4 -41.12 88.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.94 -42.92 99.15 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.705 0.628 . . . . 0.0 109.409 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.492 HG13 HD11 ' B' ' 48' ' ' ILE . 96.6 mt -65.85 -41.95 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.537 HD11 HG13 ' D' ' 47' ' ' ILE . 1.8 mm -61.25 -45.38 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.636 0.774 . . . . 0.0 110.282 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.32 -45.69 95.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -67.07 -29.31 69.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.049 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' D' ' 50' ' ' MET . 8.9 tt -73.77 -41.61 62.22 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 CA--C 1.541 0.634 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.747 178.618 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.85 -34.48 76.05 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.16 -42.45 96.74 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.334 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.85 -44.73 96.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 O-C-N 124.031 0.832 . . . . 0.0 108.858 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.68 -47.95 83.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.585 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.03 -40.49 97.9 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 123.927 0.767 . . . . 0.0 109.778 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.436 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.2 tm? -62.09 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.765 0.665 . . . . 0.0 109.473 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -61.87 -45.66 92.79 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.42 -43.06 99.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.961 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.38 -40.21 95.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.077 0.861 . . . . 0.0 110.727 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.3 93.77 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.729 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.95 -42.74 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.845 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.452 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -59.16 -42.08 89.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.596 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.452 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -69.62 -41.01 76.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.242 178.73 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 134.38 54.38 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.24 126.58 31.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.35 139.41 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 123.557 0.535 . . . . 0.0 111.279 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -140.46 167.72 21.49 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.124 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 15.6 mtt -57.24 139.41 79.78 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 119.149 -0.453 . . . . 0.0 110.618 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.55 -62.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.167 0 C-N-CA 122.094 1.862 . . . . 0.0 112.623 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.49 -40.77 93.49 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.944 0.778 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLN . . . . . 0.48 HE22 ' N ' ' E' ' 24' ' ' ALA . 78.0 mt-30 -99.16 42.72 1.09 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.469 ' N ' HE22 ' C' ' 23' ' ' GLN . . . -64.01 -62.96 1.3 Allowed 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.461 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -63.09 -15.8 57.82 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.755 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.64 -46.49 46.39 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.501 ' HA ' ' HE ' ' E' ' 25' ' ' ARG . 0.1 OUTLIER -64.59 -38.82 92.34 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.552 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' D' ' 28' ' ' LEU . 3.6 mm? -65.14 -37.7 88.26 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.547 ' HG2' HD12 ' D' ' 33' ' ' ILE . 6.0 tt0 -66.11 -39.99 90.38 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.75 -43.37 98.99 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.53 -41.2 98.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.558 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -81.29 -59.54 2.6 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' D' ' 29' ' ' GLN . 60.7 mt -62.21 -47.41 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.543 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.92 -41.23 97.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.595 0.634 . . . . 0.0 110.517 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 56.0 t80 -57.36 -46.07 83.73 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -68.3 -38.24 81.42 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.015 0.822 . . . . 0.0 111.908 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' E' ' 33' ' ' ILE . 42.3 mt -67.39 -44.92 77.72 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.858 0.837 . . . . 0.0 110.228 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.53 -42.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.588 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.9 mt -60.56 -44.65 95.91 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' C' ' 44' ' ' LEU . 1.1 mm -64.04 -42.96 97.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.9 m -58.28 -48.25 81.06 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 124.034 0.833 . . . . 0.0 109.379 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.5 mt -63.51 -39.7 95.12 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.534 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' C' ' 44' ' ' LEU . 13.8 tp -73.6 -25.84 60.52 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.542 HD13 HG23 ' E' ' 40' ' ' ILE . 4.1 mt -72.39 -37.17 68.79 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' D' ' 42' ' ' LEU . 58.3 mt -61.99 -41.35 90.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.27 -41.89 97.71 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.537 HG13 HD11 ' C' ' 48' ' ' ILE . 76.7 mt -64.35 -42.96 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.539 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.504 HD11 HG13 ' E' ' 47' ' ' ILE . 2.4 mm -61.76 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 124.595 1.185 . . . . 0.0 111.056 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.62 -45.43 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.508 ' HB3' HD21 ' C' ' 51' ' ' LEU . 82.3 mmm -67.18 -30.46 70.43 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 125.172 1.545 . . . . 0.0 110.554 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.67 -42.46 61.28 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 121.764 0.792 . . . . 0.0 109.129 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--O 1.218 -0.556 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.551 178.349 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.54 -34.57 75.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.29 -42.3 96.47 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.377 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.8 -44.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 123.989 0.806 . . . . 0.0 108.974 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -60.58 -47.83 84.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.635 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -63.41 -40.78 98.11 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 123.864 0.728 . . . . 0.0 109.916 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.463 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -62.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.665 0.603 . . . . 0.0 109.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.74 -45.73 91.36 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.33 -43.03 99.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.911 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.47 -39.91 94.71 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.641 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.29 93.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -65.0 -42.67 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 124.094 0.871 . . . . 0.0 108.871 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.445 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -59.45 -42.13 91.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.47 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.445 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -69.47 -40.96 76.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.189 178.765 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 134.39 54.51 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.989 0.806 . . . . 0.0 110.884 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.84 126.82 31.33 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.73 139.55 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.709 0.631 . . . . 0.0 111.245 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.5 167.79 21.33 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.101 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 14.4 mtt -57.52 139.45 80.96 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.614 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.6 -62.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.509 2.431 0 C-N-CA 122.343 2.029 . . . . 0.0 112.44 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.52 -40.97 93.59 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.3 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' GLN . . . . . 0.463 HE22 ' N ' ' A' ' 24' ' ' ALA . 77.8 mt-30 -99.63 42.86 1.08 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.54 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.48 ' N ' HE22 ' D' ' 23' ' ' GLN . . . -64.33 -63.6 1.1 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.136 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -62.15 -16.57 53.67 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.767 0.667 . . . . 0.0 111.276 -179.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -73.76 -47.98 35.03 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.493 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -62.05 -38.87 90.4 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.496 179.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' E' ' 28' ' ' LEU . 3.5 mm? -64.72 -36.89 85.76 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.71 -39.48 88.04 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.89 -39.67 95.19 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -82.09 -60.02 2.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.9 mt -61.51 -47.58 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -61.72 -40.71 96.03 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.495 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.482 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 56.1 t80 -57.81 -45.4 86.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.87 -52.94 57.71 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 122.861 0.465 . . . . 0.0 110.36 178.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.37 -43.98 92.8 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.796 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.67 -43.4 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.4 mt -61.81 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.542 HG23 HD13 ' D' ' 44' ' ' LEU . 53.7 mt -66.32 -42.12 90.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 123.437 0.461 . . . . 0.0 110.235 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.3 m -56.34 -48.68 76.28 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -63.09 -39.77 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.341 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' D' ' 44' ' ' LEU . 10.3 tp -65.16 -50.72 64.89 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' E' ' 47' ' ' ILE . 2.3 mt -54.05 -35.67 62.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.68 0.392 . . . . 0.0 110.029 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' E' ' 42' ' ' LEU . 55.8 mt -62.23 -42.14 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.57 -38.44 91.0 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.4 mt -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.515 HD11 HG13 ' A' ' 47' ' ' ILE . 1.8 mm -63.38 -44.9 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 124.553 1.158 . . . . 0.0 110.596 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' E' ' 45' ' ' ILE . 43.8 t -62.37 -46.52 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.581 0.551 . . . . 0.0 109.583 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 123.919 0.762 . . . . 0.0 108.987 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 50' ' ' MET . 8.5 tt -55.51 -41.15 72.7 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.218 0.949 . . . . 0.0 110.041 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.926 178.181 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.79 -36.89 82.4 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.96 -41.63 95.3 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.686 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.74 -45.15 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 124.006 0.816 . . . . 0.0 109.056 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -62.65 -42.81 99.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.52 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.8 -40.92 96.9 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.908 0.755 . . . . 0.0 109.189 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -43.3 99.11 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.981 0.8 . . . . 0.0 109.024 179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 m -62.4 -46.3 89.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.194 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.34 -41.63 98.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.316 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.85 -41.31 97.83 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.915 0.76 . . . . 0.0 110.305 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.19 94.17 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.63 -42.46 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.812 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -61.5 -40.05 93.19 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.177 0.923 . . . . 0.0 110.224 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -68.0 -17.35 64.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.704 179.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.41 17.71 7.01 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.872 0.733 . . . . 0.0 111.151 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -149.85 -95.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.15 130.19 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.461 0.705 . . . . 0.0 109.19 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -134.5 43.54 2.76 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.391 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -154.64 122.11 2.87 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.503 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.1 106.57 2.3 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.288 1.992 . . . . 0.0 111.876 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -64.95 -31.61 72.93 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.724 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -55.91 -31.62 63.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.937 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.67 47.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.619 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -59.92 -36.11 76.32 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.011 0.91 . . . . 0.0 108.965 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -64.16 -41.25 97.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.946 -1.933 . . . . 0.0 109.358 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.56 -22.57 37.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.829 0.705 . . . . 0.0 111.933 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.87 -40.06 96.35 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG2' HD12 ' A' ' 33' ' ' ILE . 6.9 tt0 -53.96 -35.77 62.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.967 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -43.86 90.53 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.634 1.209 . . . . 0.0 110.925 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.19 -46.67 85.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.91 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.57 -49.71 70.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.325 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.43 HD12 ' HG2' ' A' ' 29' ' ' GLN . 83.7 mt -66.97 -43.93 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.14 -40.78 98.57 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 123.652 0.595 . . . . 0.0 109.909 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.1 t80 -54.41 -48.04 72.07 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.589 0.555 . . . . 0.0 111.127 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.8 OUTLIER -64.93 -49.61 69.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 123.295 0.372 . . . . 0.0 110.286 179.31 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.15 -42.58 91.04 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.107 0.88 . . . . 0.0 110.471 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.86 -42.32 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 124.442 1.089 . . . . 0.0 108.978 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 36.3 mt -61.7 -43.0 99.69 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.724 0.64 . . . . 0.0 109.333 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.604 HD12 HD13 ' E' ' 44' ' ' LEU . 30.6 mm -64.65 -42.34 94.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.164 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 74.1 m -60.49 -48.55 81.26 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 124.304 1.002 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.49 -40.84 96.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.609 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' E' ' 44' ' ' LEU . 25.2 tp -78.42 -20.45 51.07 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.705 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.747 HD23 HD23 ' B' ' 43' ' ' LEU . 0.3 OUTLIER -70.81 -33.03 70.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.353 0.978 . . . . 0.0 109.147 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.39 -42.75 97.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.302 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -64.36 -38.99 92.97 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.7 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.646 HG13 HD11 ' E' ' 48' ' ' ILE . 85.1 mt -63.23 -43.01 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.65 HG13 HD21 ' B' ' 43' ' ' LEU . 1.7 mm -64.04 -44.91 97.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 O-C-N 124.045 0.841 . . . . 0.0 110.874 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.82 -43.98 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.912 0.757 . . . . 0.0 108.962 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.3 mmm -67.29 -34.92 78.42 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.501 1.125 . . . . 0.0 110.529 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.75 -38.08 73.47 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.307 177.337 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.19 -36.69 82.66 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.83 -41.63 95.6 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.716 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.86 -45.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -62.46 -42.4 99.44 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.675 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.84 -41.24 97.56 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.153 0.908 . . . . 0.0 109.184 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.89 -42.78 99.48 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.003 0.815 . . . . 0.0 109.023 179.46 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -62.4 -46.7 87.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.264 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -62.31 -41.62 98.69 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.334 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.12 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.3 88.79 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.274 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.22 -44.66 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.439 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.3 ptt180 -71.4 -23.41 61.87 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.492 0.495 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.439 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 -70.45 -18.48 63.0 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.19 14.69 6.2 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.092 0.87 . . . . 0.0 111.354 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.8 m -148.96 -94.66 0.07 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.199 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.2 pt -114.79 131.56 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.407 0.683 . . . . 0.0 109.378 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -136.18 42.77 2.55 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.302 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttp -154.34 121.92 2.91 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.73 106.72 2.31 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.179 1.919 . . . . 0.0 111.898 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.89 -30.92 71.94 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.811 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.83 -31.36 64.66 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.076 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 46.76 0.49 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.63 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -59.65 -35.39 74.33 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -65.11 -39.91 93.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 112.776 -2.011 . . . . 0.0 109.769 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -82.21 -22.99 35.65 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.816 0.697 . . . . 0.0 111.811 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.14 -39.81 95.77 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.447 ' HG2' HD12 ' B' ' 33' ' ' ILE . 6.9 tt0 -53.69 -35.93 61.64 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.304 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -44.22 91.69 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.653 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.74 -46.92 85.85 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.313 0.383 . . . . 0.0 111.694 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.75 -49.33 71.19 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.929 0.768 . . . . 0.0 112.058 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.447 HD12 ' HG2' ' B' ' 29' ' ' GLN . 86.8 mt -67.46 -43.96 87.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 123.449 0.468 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -62.99 -40.6 98.25 Favored 'General case' 0 C--O 1.209 -1.056 0 O-C-N 123.588 0.555 . . . . 0.0 109.887 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.514 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 63.5 t80 -54.73 -49.3 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.279 0.362 . . . . 0.0 111.106 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -64.4 -47.94 77.3 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.58 0.55 . . . . 0.0 109.997 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -58.36 -44.58 88.87 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 123.185 0.594 . . . . 0.0 110.125 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.66 -42.9 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.584 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 55.3 mt -61.55 -42.78 99.34 Favored 'General case' 0 C--O 1.25 1.086 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.566 HD12 HD13 ' A' ' 44' ' ' LEU . 31.0 mm -64.05 -42.69 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 71.1 m -60.94 -49.51 77.15 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 124.163 0.914 . . . . 0.0 110.185 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.04 -42.28 94.07 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 124.292 0.995 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 HD23 ' A' ' 44' ' ' LEU . 23.9 tp -70.37 -47.72 59.64 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.269 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.624 HD13 HD12 ' C' ' 40' ' ' ILE . 0.2 OUTLIER -46.09 -34.97 4.52 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.105 0.866 . . . . 0.0 111.77 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.429 ' O ' HG23 ' B' ' 49' ' ' VAL . 76.5 mt -63.43 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -66.57 -35.69 80.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.429 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' B' ' 44' ' ' LEU . 97.8 mt -63.25 -43.63 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.642 HD11 HG13 ' C' ' 47' ' ' ILE . 2.8 mm -63.62 -44.69 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.326 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.8 t -64.15 -44.04 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 124.113 0.883 . . . . 0.0 109.577 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.6 mmm -66.74 -34.4 77.75 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.928 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.58 -37.95 74.01 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.963 177.674 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.55 -36.73 83.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.72 -41.82 95.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.605 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.89 -45.3 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 124.046 0.841 . . . . 0.0 108.838 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -62.26 -42.76 99.61 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 124.143 0.902 . . . . 0.0 109.62 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -61.91 -40.89 97.0 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.919 0.762 . . . . 0.0 109.26 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.427 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.88 -43.02 99.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.993 0.808 . . . . 0.0 109.057 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -62.45 -46.38 88.77 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.3 -41.77 98.8 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.246 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.92 0.763 . . . . 0.0 110.432 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.14 94.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.8 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.6 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.878 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -61.35 -40.1 93.0 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.268 0.98 . . . . 0.0 110.218 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -68.0 -17.45 64.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.646 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.23 17.64 7.11 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.847 0.717 . . . . 0.0 111.193 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -149.88 -95.81 0.07 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.19 130.02 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.38 0.672 . . . . 0.0 109.266 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -134.39 43.36 2.79 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.408 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -154.53 122.0 2.88 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.523 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.95 106.75 2.33 Favored 'Trans proline' 0 N--CA 1.502 2.018 0 C-N-CA 122.267 1.978 . . . . 0.0 111.839 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.99 -31.09 72.17 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.735 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.49 -31.09 63.71 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.199 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.41 46.15 0.41 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.959 -1.018 . . . . 0.0 112.677 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -59.75 -35.55 74.82 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -65.13 -40.77 94.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.053 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -82.66 -22.76 34.52 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.014 0.821 . . . . 0.0 111.71 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.41 -39.76 95.38 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' C' ' 33' ' ' ILE . 7.0 tt0 -53.54 -35.49 60.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.092 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -44.1 91.95 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.869 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.5 -46.72 84.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.877 0.735 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.06 -49.47 72.19 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.089 0.868 . . . . 0.0 112.331 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' C' ' 29' ' ' GLN . 87.5 mt -67.01 -43.77 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.8 -40.23 96.71 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.605 0.566 . . . . 0.0 109.608 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.541 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 70.6 t80 -56.03 -48.24 76.35 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.281 0.363 . . . . 0.0 111.212 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -63.27 -50.85 68.53 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' C' ' 40' ' ' ILE . 67.1 mt -52.8 -72.41 0.05 Allowed 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -34.12 -44.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.6 mt -62.22 -45.85 91.48 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 110.369 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.624 HD12 HD13 ' B' ' 44' ' ' LEU . 25.8 mm -62.58 -42.4 95.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.4 m -59.41 -49.58 77.27 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.509 1.13 . . . . 0.0 109.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.82 -40.21 91.91 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.011 0.82 . . . . 0.0 109.837 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 44' ' ' LEU . 26.9 tp -77.84 -20.23 53.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.9 0.75 . . . . 0.0 110.586 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.769 HD23 HD23 ' D' ' 43' ' ' LEU . 0.3 OUTLIER -71.25 -33.31 69.69 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 119.359 0.981 . . . . 0.0 108.848 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.41 ' O ' HG23 ' C' ' 49' ' ' VAL . 80.4 mt -63.65 -42.71 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.59 -38.53 91.32 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.792 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.642 HG13 HD11 ' B' ' 48' ' ' ILE . 82.8 mt -62.96 -43.54 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.654 HG13 HD21 ' D' ' 43' ' ' LEU . 1.6 mm -63.83 -45.13 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.381 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.41 HG23 ' O ' ' C' ' 45' ' ' ILE . 52.4 t -62.99 -44.69 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 66.4 mmm -66.84 -35.04 79.14 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.741 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 45.1 tp -69.93 -38.16 76.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.157 177.584 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.95 -36.78 82.43 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.63 -41.9 95.84 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.535 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 124.121 0.888 . . . . 0.0 108.829 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -62.81 -42.8 99.87 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.514 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.72 -40.79 96.29 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.992 0.807 . . . . 0.0 109.232 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.81 -43.2 99.32 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -62.49 -46.17 89.69 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.44 -41.63 98.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.284 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.84 -41.29 97.85 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.927 0.767 . . . . 0.0 110.425 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.08 94.42 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.736 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.83 -42.37 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.892 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -61.5 -39.95 92.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.167 0.917 . . . . 0.0 110.155 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -68.11 -17.32 64.33 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.643 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.41 17.69 7.01 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.758 0.662 . . . . 0.0 111.061 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -149.89 -95.79 0.07 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.842 0.714 . . . . 0.0 109.083 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.38 130.15 69.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 123.398 0.679 . . . . 0.0 109.28 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -134.47 44.11 2.71 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.323 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttp -155.21 121.37 2.66 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.58 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.81 106.74 2.32 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.371 2.047 . . . . 0.0 111.858 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.56 -31.03 72.07 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.812 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.83 -31.41 64.72 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.183 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 48.04 0.58 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.768 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' D' ' 28' ' ' LEU . 93.9 mtt180 -60.79 -35.89 77.62 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.938 0.875 . . . . 0.0 108.677 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -65.26 -39.26 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.505 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -83.46 -23.16 32.35 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.886 0.741 . . . . 0.0 112.004 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' D' ' 25' ' ' ARG . 18.0 mt -62.89 -39.84 95.73 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' D' ' 33' ' ' ILE . 6.9 tt0 -53.14 -35.63 59.92 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.143 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -43.53 93.51 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.76 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 123.372 0.42 . . . . 0.0 112.086 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.93 -50.11 69.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.026 0.829 . . . . 0.0 112.326 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.455 HD12 ' HG2' ' D' ' 29' ' ' GLN . 88.6 mt -66.83 -43.71 89.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.22 -40.69 98.18 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 123.615 0.572 . . . . 0.0 110.17 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 63.0 t80 -54.52 -48.9 71.38 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.736 0.647 . . . . 0.0 111.304 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.57 -48.87 73.37 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 123.954 0.784 . . . . 0.0 110.567 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.92 -43.33 86.19 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.729 0.643 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.41 -43.03 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 124.949 1.406 . . . . 0.0 109.019 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 52.7 mt -61.93 -43.14 99.46 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 HD13 ' C' ' 44' ' ' LEU . 28.4 mm -63.65 -42.86 97.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 82.8 m -61.63 -48.45 80.83 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.987 0.805 . . . . 0.0 110.325 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -60.64 -42.41 96.89 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 124.16 0.913 . . . . 0.0 109.696 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.769 HD23 HD23 ' C' ' 44' ' ' LEU . 24.1 tp -69.67 -48.25 60.44 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.749 HD23 HD23 ' E' ' 43' ' ' LEU . 0.2 OUTLIER -45.52 -34.95 3.54 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.068 0.849 . . . . 0.0 112.123 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.45 ' O ' HG23 ' D' ' 49' ' ' VAL . 77.4 mt -63.58 -44.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -66.31 -35.59 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.419 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.1 mt -62.95 -43.3 98.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.62 HG13 HD21 ' E' ' 43' ' ' LEU . 1.5 mm -64.53 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 124.132 0.973 . . . . 0.0 110.724 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' D' ' 45' ' ' ILE . 56.0 t -63.77 -43.73 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 124.058 0.849 . . . . 0.0 108.886 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mmm -67.41 -35.05 78.52 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.001 0.813 . . . . 0.0 110.701 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.91 -38.22 76.21 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 CA--C 1.547 0.852 0 CA-C-O 118.068 -0.968 . . . . 0.0 109.955 177.342 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.36 -36.57 82.65 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.68 -41.87 95.75 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.596 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.9 -44.81 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.122 0.889 . . . . 0.0 108.82 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -63.1 -42.43 99.58 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.083 0.864 . . . . 0.0 109.598 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.85 -40.77 96.49 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 124.051 0.844 . . . . 0.0 109.215 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.429 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.13 99.47 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.984 0.802 . . . . 0.0 108.987 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 14.0 m -62.64 -46.14 89.62 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.315 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.37 -41.75 98.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.231 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.86 -41.28 97.82 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.864 0.728 . . . . 0.0 110.361 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.15 94.34 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.73 -42.38 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.878 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.5 ttp180 -61.62 -39.96 93.14 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.23 0.956 . . . . 0.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -68.14 -17.28 64.31 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.584 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.26 17.83 7.08 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.729 0.643 . . . . 0.0 111.136 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -149.86 -96.0 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.22 130.23 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.383 0.673 . . . . 0.0 109.264 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -134.48 43.73 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.421 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -154.73 122.11 2.85 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.6 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 N--CA 1.502 2.027 0 C-N-CA 122.388 2.058 . . . . 0.0 111.857 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.98 -31.42 72.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.048 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.19 -31.68 63.67 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.477 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 47.38 0.48 Allowed 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.864 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -60.47 -35.29 75.53 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.174 0.988 . . . . 0.0 109.107 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.17 -39.48 92.98 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 112.536 -2.12 . . . . 0.0 109.338 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.13 -22.47 33.33 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.216 0.948 . . . . 0.0 112.058 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.87 -40.07 96.37 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' E' ' 33' ' ' ILE . 7.0 tt0 -53.29 -35.59 60.26 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.196 177.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -43.87 92.56 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 124.292 0.995 . . . . 0.0 110.862 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.32 -46.86 84.7 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.672 0.607 . . . . 0.0 111.831 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.54 -49.63 70.48 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.159 0.912 . . . . 0.0 112.396 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' E' ' 29' ' ' GLN . 84.2 mt -67.05 -44.1 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 123.43 0.457 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -63.05 -40.57 98.11 Favored 'General case' 0 C--O 1.2 -1.507 0 O-C-N 123.487 0.492 . . . . 0.0 109.811 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 63.9 t80 -54.15 -48.8 70.45 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.283 0.365 . . . . 0.0 111.181 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.74 -48.93 72.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.045 0.45 . . . . 0.0 110.24 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.9 -42.74 94.52 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.76 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.33 -42.76 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 124.718 1.261 . . . . 0.0 108.485 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.501 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.2 mt -61.7 -43.79 98.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.571 HD12 HD13 ' D' ' 44' ' ' LEU . 30.1 mm -64.05 -42.18 94.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 123.707 0.63 . . . . 0.0 109.513 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 75.1 m -60.76 -48.37 82.09 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.989 0.806 . . . . 0.0 110.288 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.62 -42.17 96.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 124.291 0.995 . . . . 0.0 109.846 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.749 HD23 HD23 ' D' ' 44' ' ' LEU . 23.0 tp -70.38 -48.44 56.26 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.21 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.604 HD13 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -45.35 -34.91 3.24 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.911 0.778 . . . . 0.0 111.705 179.292 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.472 ' O ' HG23 ' E' ' 49' ' ' VAL . 77.3 mt -63.47 -44.04 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -35.66 80.83 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.556 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' E' ' 44' ' ' LEU . 95.2 mt -63.21 -43.98 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.646 HD11 HG13 ' A' ' 47' ' ' ILE . 2.9 mm -64.27 -45.27 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.161 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.472 HG23 ' O ' ' E' ' 45' ' ' ILE . 46.8 t -62.05 -44.05 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 123.73 0.643 . . . . 0.0 109.575 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 64.9 mmm -61.8 -60.48 3.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.89 -35.11 14.06 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 124.108 0.88 . . . . 0.0 110.616 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 118.26 -0.876 . . . . 0.0 109.877 177.279 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -37.73 81.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.34 -43.83 93.41 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.317 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.53 -45.08 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 124.03 0.831 . . . . 0.0 108.852 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.32 -47.87 77.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 124.06 0.85 . . . . 0.0 109.68 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 123.907 0.754 . . . . 0.0 109.59 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.5 tm? -60.87 -42.59 98.19 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.883 0.739 . . . . 0.0 109.644 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.8 m -62.62 -46.57 87.66 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -61.6 -43.76 98.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.774 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -65.59 -38.87 90.75 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.985 0.803 . . . . 0.0 110.426 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.73 93.09 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.841 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.97 -42.82 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.142 0.901 . . . . 0.0 109.047 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.6 ttp180 -58.47 -42.83 88.38 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.273 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -71.08 -40.36 71.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.952 178.557 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.48 -13.56 52.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.532 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -138.21 144.25 40.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.586 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.4 pt -99.45 142.05 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 124.218 0.949 . . . . 0.0 108.735 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -130.8 24.17 5.01 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.765 0.665 . . . . 0.0 110.405 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.36 -174.12 0.48 Allowed Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.254 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.81 -20.71 44.84 Favored 'Trans proline' 0 N--CA 1.509 2.393 0 C-N-CA 122.192 1.928 . . . . 0.0 110.164 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.37 -37.63 75.62 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.593 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -68.95 -43.4 75.09 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.684 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.89 17.71 7.48 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.004 0.43 . . . . 0.0 110.986 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -70.25 162.5 28.34 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.894 0.854 . . . . 0.0 112.115 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -60.97 -39.37 89.32 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.09 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.31 -46.61 89.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.26 -24.68 67.38 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 113.389 -1.732 . . . . 0.0 110.978 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -63.79 -32.14 73.55 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.59 -46.35 89.19 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.069 0.856 . . . . 0.0 108.885 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.55 96.86 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.608 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.38 -56.89 6.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.697 HG23 HD11 ' E' ' 37' ' ' LEU . 68.1 mt -65.22 -44.83 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.017 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -60.63 -41.64 95.26 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 41.8 t80 -58.84 -46.25 88.14 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.399 0.437 . . . . 0.0 110.865 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -68.74 -38.93 80.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.614 0.572 . . . . 0.0 111.26 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.676 HD11 HG23 ' B' ' 33' ' ' ILE . 23.2 mt -64.43 -44.31 91.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.044 0.926 . . . . 0.0 108.711 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.41 -39.82 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 112.28 -2.237 . . . . 0.0 107.664 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 26.4 mt -63.23 -43.38 98.22 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.658 HG23 HD11 ' E' ' 44' ' ' LEU . 31.7 mm -62.43 -43.5 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 59.8 m -55.66 -49.17 73.62 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.475 0.655 . . . . 0.0 109.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.31 -39.78 92.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.045 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.9 -28.13 57.94 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.379 0.425 . . . . 0.0 111.741 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.738 HD11 HG23 ' B' ' 40' ' ' ILE . 20.0 mt -66.49 -38.26 86.88 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.74 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.8 -36.83 82.25 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 44' ' ' LEU . 55.3 mt -64.37 -43.25 97.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.24 -42.88 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -44.35 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 123.381 0.426 . . . . 0.0 110.295 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.61 -71.75 0.33 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.647 0.592 . . . . 0.0 111.174 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.84 HD22 HD21 ' E' ' 51' ' ' LEU . 60.5 tp -61.05 -47.52 85.98 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.804 0.842 . . . . 0.0 113.272 -178.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.381 -178.091 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.16 -37.34 79.85 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.33 -43.67 93.92 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.479 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.59 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.95 0.781 . . . . 0.0 109.006 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.19 -48.16 79.46 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.275 0.984 . . . . 0.0 109.649 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.16 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.642 0.589 . . . . 0.0 109.693 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.18 -42.51 98.7 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.78 0.675 . . . . 0.0 109.777 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.73 -45.91 90.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.16 -43.65 98.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.79 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -65.46 -38.49 90.0 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.058 0.849 . . . . 0.0 110.563 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.9 92.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.723 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.93 -42.8 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 124.135 0.897 . . . . 0.0 108.972 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.7 ttp180 -58.45 -42.72 88.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.399 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -70.99 -40.44 71.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.081 178.4 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -13.53 48.79 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.622 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -140.63 142.95 34.95 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 pt -96.9 140.4 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 123.749 0.656 . . . . 0.0 109.781 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -121.34 11.74 10.8 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.676 0.61 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' B' ' 20' ' ' MET . 2.3 mmt -74.83 -176.82 0.58 Allowed Pre-proline 0 N--CA 1.482 1.162 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.597 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.52 -20.5 41.53 Favored 'Trans proline' 0 N--CA 1.512 2.607 0 C-N-CA 122.105 1.87 . . . . 0.0 110.574 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -57.74 -37.25 73.25 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.712 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.63 -42.57 82.08 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.918 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.11 18.63 7.8 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 123.349 0.405 . . . . 0.0 110.654 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -70.74 163.77 26.51 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.167 0.587 . . . . 0.0 112.217 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.81 -40.45 92.77 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 114.531 -1.213 . . . . 0.0 113.073 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.79 -45.74 93.21 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.56 -24.21 67.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.03 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -64.41 -33.64 76.33 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.49 -47.05 82.96 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 124.284 0.99 . . . . 0.0 108.87 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.07 -44.87 96.72 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.636 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -69.06 -56.51 7.51 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.676 HG23 HD11 ' A' ' 37' ' ' LEU . 69.3 mt -65.45 -44.44 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.371 0.419 . . . . 0.0 111.107 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.71 -42.17 96.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 42.1 t80 -58.61 -46.35 87.21 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.57 0.543 . . . . 0.0 110.463 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.8 t -68.52 -39.15 81.33 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.515 0.51 . . . . 0.0 111.542 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' C' ' 33' ' ' ILE . 22.2 mt -64.57 -43.61 93.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.049 0.928 . . . . 0.0 108.79 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.3 -39.54 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 112.53 -2.123 . . . . 0.0 107.475 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 25.1 mt -63.21 -43.01 99.33 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.738 HG23 HD11 ' A' ' 44' ' ' LEU . 25.7 mm -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 60.6 m -55.95 -49.5 73.37 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.228 0.537 . . . . 0.0 109.831 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.97 -39.84 94.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.197 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.8 -27.87 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.894 0.478 . . . . 0.0 111.717 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.714 HD11 HG23 ' C' ' 40' ' ' ILE . 18.2 mt -67.1 -38.34 85.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.74 -42.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.26 -36.96 83.67 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' B' ' 44' ' ' LEU . 52.3 mt -64.27 -42.51 95.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 18.2 mm -60.79 -42.97 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.02 -47.06 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 123.308 0.38 . . . . 0.0 110.662 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.84 -41.66 64.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.69 HD21 HD22 ' C' ' 51' ' ' LEU . 54.0 tp -88.92 -53.9 4.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.27 -178.307 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.44 -37.36 80.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.7 -43.53 93.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.424 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.68 -44.62 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 124.034 0.834 . . . . 0.0 108.869 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.86 -48.19 78.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.377 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -64.47 -41.09 96.71 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.64 0.587 . . . . 0.0 109.728 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.487 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.6 tm? -60.96 -42.67 98.72 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.765 0.666 . . . . 0.0 109.797 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.7 m -62.5 -45.99 90.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.14 -43.62 98.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.924 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.8 m -65.4 -38.68 90.71 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.511 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.96 92.57 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.765 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.84 -42.9 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.138 0.898 . . . . 0.0 108.988 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.8 ttp180 -58.61 -42.51 88.3 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.301 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -71.15 -40.24 71.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.009 178.41 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -13.6 51.86 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.363 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -138.18 144.38 40.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.655 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 pt -99.71 141.61 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 124.174 0.921 . . . . 0.0 108.821 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -130.39 23.94 5.15 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.797 0.686 . . . . 0.0 110.409 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.2 -174.13 0.48 Allowed Pre-proline 0 CA--C 1.55 0.979 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.338 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.54 -21.21 45.08 Favored 'Trans proline' 0 N--CA 1.511 2.535 0 C-N-CA 122.114 1.876 . . . . 0.0 110.206 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -57.92 -36.68 72.83 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.79 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.49 -44.05 71.91 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.796 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.95 17.16 7.09 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.864 0.364 . . . . 0.0 111.005 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -69.49 162.75 26.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.73 0.776 . . . . 0.0 112.072 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -60.61 -40.54 92.22 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 114.036 -1.438 . . . . 0.0 113.034 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -59.94 -46.55 89.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.06 -24.33 67.44 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.594 -1.639 . . . . 0.0 110.981 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.0 -32.31 73.81 Favored 'General case' 0 C--N 1.358 0.962 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.29 -46.94 87.2 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.13 -44.26 97.6 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.943 0.777 . . . . 0.0 111.419 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.44 -56.84 6.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' B' ' 37' ' ' LEU . 71.4 mt -65.09 -44.61 95.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 119.332 -0.366 . . . . 0.0 110.812 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -61.08 -41.83 97.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.456 -0.498 . . . . 0.0 109.8 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.491 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 43.8 t80 -57.22 -45.74 83.57 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.052 0.22 . . . . 0.0 110.442 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -66.53 -51.27 58.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.451 0.469 . . . . 0.0 110.306 179.113 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.699 HD11 HG23 ' D' ' 33' ' ' ILE . 23.7 mt -55.02 -44.12 74.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 123.707 0.63 . . . . 0.0 109.387 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.51 -42.3 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.457 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.66 -41.73 99.23 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.714 HG23 HD11 ' B' ' 44' ' ' LEU . 37.8 mm -63.02 -43.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.8 m -56.47 -48.74 76.46 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.447 0.467 . . . . 0.0 109.874 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.96 -40.26 94.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.004 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.1 -27.92 60.06 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.929 0.492 . . . . 0.0 111.389 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.672 HD11 HG23 ' D' ' 40' ' ' ILE . 17.2 mt -67.43 -38.13 84.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.01 -42.46 95.76 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -62.09 -36.98 83.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.715 0.634 . . . . 0.0 109.314 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' C' ' 44' ' ' LEU . 52.5 mt -64.03 -42.74 96.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mm -60.83 -42.96 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.68 -47.43 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.142 0.276 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 94.8 mmm -72.53 -40.94 66.38 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.695 HD21 HD22 ' D' ' 51' ' ' LEU . 54.3 tp -90.41 -54.27 4.08 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 CA--C 1.562 1.414 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.373 -178.182 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.93 -37.48 82.47 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.32 -44.22 92.24 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 124.165 0.915 . . . . 0.0 109.464 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.12 -45.57 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 124.0 0.813 . . . . 0.0 108.915 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -55.58 -48.0 75.53 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.31 1.006 . . . . 0.0 109.657 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -64.43 -40.64 96.15 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 123.875 0.734 . . . . 0.0 109.659 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.485 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.11 -41.68 97.14 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.588 0.555 . . . . 0.0 109.985 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 21.7 m -63.1 -46.91 85.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -61.27 -43.71 98.43 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.915 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -38.82 90.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.573 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.76 92.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.843 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.95 -42.72 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 124.063 0.852 . . . . 0.0 109.005 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.8 ttp180 -58.49 -42.92 88.7 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.346 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.69 -40.53 72.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.132 178.314 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 -13.58 52.5 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.45 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -138.28 144.31 40.43 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.747 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.1 pt -99.67 142.06 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 124.308 1.005 . . . . 0.0 108.7 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -131.05 24.3 4.93 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.711 0.632 . . . . 0.0 110.468 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.34 -173.87 0.46 Allowed Pre-proline 0 CA--C 1.55 0.959 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.344 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.66 -21.0 45.01 Favored 'Trans proline' 0 N--CA 1.513 2.641 0 C-N-CA 121.897 1.731 . . . . 0.0 110.253 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.35 -37.24 74.78 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.742 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.55 -43.89 75.67 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.29 17.4 7.21 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.367 0.603 . . . . 0.0 111.319 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -69.6 164.26 23.7 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.078 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.13 -40.51 94.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.302 -1.772 . . . . 0.0 112.297 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.27 -25.05 67.48 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.629 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.83 -46.74 86.98 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.37 -44.82 96.5 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.856 0.722 . . . . 0.0 111.497 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.64 -56.75 7.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.699 HG23 HD11 ' C' ' 37' ' ' LEU . 71.5 mt -65.16 -44.82 95.34 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.734 -177.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.12 -41.62 97.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.651 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 43.7 t80 -57.49 -45.27 85.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.191 0.307 . . . . 0.0 110.517 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.3 t -67.19 -49.87 63.01 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.63 HD11 HG23 ' E' ' 33' ' ' ILE . 21.1 mt -55.94 -43.65 77.63 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.2 -41.37 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 113.811 -1.54 . . . . 0.0 107.731 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.5 mt -62.55 -42.11 99.33 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.672 HG23 HD11 ' C' ' 44' ' ' LEU . 35.3 mm -63.36 -43.8 98.72 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 60.0 m -55.3 -49.51 71.95 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.59 -41.86 95.96 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.995 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.11 -51.5 60.97 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.697 HD11 HG23 ' E' ' 40' ' ' ILE . 20.9 mt -49.27 -37.71 24.6 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.055 0.542 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.14 -43.72 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.52 -34.68 78.79 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' D' ' 44' ' ' LEU . 82.3 mt -63.77 -42.91 97.5 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.881 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.405 HD11 ' CG1' ' E' ' 47' ' ' ILE . 17.1 mm -60.88 -43.01 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.26 -47.72 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.242 0.339 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 94.6 mmm -71.77 -41.6 68.18 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.768 HD21 HD22 ' E' ' 51' ' ' LEU . 55.1 tp -91.54 -54.39 3.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 CA--C 1.563 1.48 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.001 -177.789 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.16 -37.42 80.08 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.5 -43.72 93.24 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.483 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.42 -44.73 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 123.976 0.797 . . . . 0.0 108.945 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -56.76 -48.16 78.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.383 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.56 -41.34 96.37 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.702 0.626 . . . . 0.0 109.741 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.483 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.6 tm? -60.78 -42.59 97.83 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.005 0.816 . . . . 0.0 109.712 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.67 -45.75 91.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -62.3 -43.48 98.73 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.919 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.45 -38.71 90.64 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.467 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.93 92.94 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.564 0.54 . . . . 0.0 109.811 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.1 -42.67 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.19 0.931 . . . . 0.0 108.97 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.473 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -58.49 -42.91 88.64 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.268 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.473 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.62 -40.51 73.1 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.168 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -13.51 50.08 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.566 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -138.6 144.34 39.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.603 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 pt -99.73 141.93 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.24 0.963 . . . . 0.0 108.734 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -130.87 24.19 4.99 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.809 0.693 . . . . 0.0 110.405 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 2.9 mmt -86.1 -174.15 0.48 Allowed Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.296 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.63 -21.29 46.16 Favored 'Trans proline' 0 N--CA 1.51 2.455 0 C-N-CA 122.039 1.826 . . . . 0.0 110.214 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.92 -37.23 73.69 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.8 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.08 -43.6 74.23 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.735 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.1 17.98 6.38 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.76 0.663 . . . . 0.0 110.786 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.25 164.34 25.88 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.753 0.787 . . . . 0.0 112.148 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -62.55 -40.04 95.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.015 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.47 -45.59 93.16 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.64 -25.14 67.23 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 125.26 1.6 . . . . 0.0 110.792 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.73 -32.65 74.22 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.93 -46.35 88.18 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.12 0.887 . . . . 0.0 109.087 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.01 -44.63 96.31 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.486 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.07 -56.99 6.86 Favored 'General case' 0 C--O 1.239 0.553 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.63 HG23 HD11 ' D' ' 37' ' ' LEU . 70.1 mt -65.46 -45.0 94.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.801 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.617 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' E' ' 39' ' ' LEU . 45.0 t80 -59.33 -46.25 89.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.418 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.8 t -68.28 -36.33 79.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.985 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 33' ' ' ILE . 19.5 mt -62.63 -67.97 0.37 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.982 -2.97 . . . . 0.0 102.982 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 57.9 mt -37.64 -38.9 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.977 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' E' ' 35' ' ' PHE . 24.7 mt -63.7 -46.34 85.94 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 122.165 -0.334 . . . . 0.0 110.609 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.697 HG23 HD11 ' D' ' 44' ' ' LEU . 29.0 mm -61.21 -42.77 94.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 36.4 m -55.85 -48.99 74.53 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.06 -40.88 95.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.297 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' D' ' 44' ' ' LEU . 2.6 tp -65.35 -52.26 54.97 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' E' ' 47' ' ' ILE . 27.7 mt -48.34 -37.57 16.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.932 0.493 . . . . 0.0 111.169 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.51 -44.1 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.7 -34.78 78.62 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.781 0.676 . . . . 0.0 109.538 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.1 mt -64.03 -43.31 97.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 mm -61.22 -42.96 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 63.5 t -62.51 -44.96 99.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 O-C-N 123.344 0.402 . . . . 0.0 110.29 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.99 -72.22 0.28 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.734 0.646 . . . . 0.0 111.302 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.84 HD21 HD22 ' A' ' 51' ' ' LEU . 62.0 tp -61.65 -47.33 85.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 CA--C 1.568 1.651 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.09 -177.621 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.29 -43.62 94.18 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.531 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -45.41 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 124.073 0.858 . . . . 0.0 108.966 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -57.06 -46.99 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.132 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.71 -40.16 94.89 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.756 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.6 tm? -60.99 -42.59 98.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.651 0.594 . . . . 0.0 109.973 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.86 -47.43 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.95 -43.99 97.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.792 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.26 -39.83 94.74 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.067 0.854 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.91 90.8 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.115 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.32 -42.64 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' A' ' 14' ' ' ARG . 51.3 ttp180 -60.77 -41.82 96.26 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.008 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -70.22 -43.0 71.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.9 128.39 20.13 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 123.947 0.779 . . . . 0.0 111.259 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SEP . . . . . 0.414 ' P ' HE22 ' B' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.543 HG23 ' CE1' ' B' ' 32' ' ' PHE . 72.3 m -58.22 -47.21 84.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.241 0.617 . . . . 0.0 110.004 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -92.67 126.04 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.102 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.62 142.63 28.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.342 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.45 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 74.3 mtp -73.69 -50.35 5.83 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.408 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 20' ' ' MET . 33.0 Cg_endo -63.26 141.2 81.15 Favored 'Trans proline' 0 N--CA 1.505 2.203 0 C-N-CA 122.108 1.872 . . . . 0.0 112.285 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 HE22 ' P ' ' E' ' 16' ' ' SEP . 2.6 pp0? -155.72 10.05 0.28 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -48.51 -23.08 0.86 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.85 1.26 . . . . 0.0 112.649 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.51 135.1 33.58 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 HH11 ' HA ' ' A' ' 25' ' ' ARG . 3.9 mmt-85 -65.81 -2.25 3.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.072 0.858 . . . . 0.0 111.655 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -70.07 -52.87 20.48 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 174.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.85 -37.09 80.89 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.177 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.9 -39.24 91.31 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' HG2' HD12 ' A' ' 33' ' ' ILE . 5.5 tt0 -66.82 -38.42 86.42 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.139 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.34 -43.78 98.03 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.02 -41.85 98.52 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.167 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' E' ' 17' ' ' THR . 6.8 m-30 -81.31 -56.09 4.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 29' ' ' GLN . 63.7 mt -62.3 -45.75 98.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.656 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -63.07 -40.77 98.66 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.384 0.427 . . . . 0.0 110.164 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.7 t80 -57.52 -45.84 84.53 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -66.02 -49.12 68.88 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 123.399 0.437 . . . . 0.0 110.061 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.906 0.754 . . . . 0.0 111.266 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.67 -43.1 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.3 mt -62.17 -42.52 99.34 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.785 0.678 . . . . 0.0 109.47 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.56 -43.75 98.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 80.1 m -56.97 -44.89 83.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.02 -33.94 76.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.09 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.6 tp -74.91 -30.46 61.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD23 HD11 ' B' ' 47' ' ' ILE . 5.5 mp -65.63 -39.52 91.55 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.3 -43.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.09 -36.09 83.2 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.937 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.432 ' HA ' HD11 ' E' ' 48' ' ' ILE . 23.0 mt -62.82 -41.79 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.515 HD12 ' HG3' ' B' ' 50' ' ' MET . 23.4 mm -63.52 -42.83 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.684 0.615 . . . . 0.0 109.393 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.14 -44.4 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.531 ' HG3' HD12 ' E' ' 48' ' ' ILE . 90.0 mmm -66.59 -38.12 86.34 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.815 0.697 . . . . 0.0 110.012 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.57 -41.81 97.93 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 CA--C 1.543 0.69 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.249 177.252 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.41 -38.69 77.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.117 0.484 . . . . 0.0 110.24 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.526 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.38 -45.42 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.27 -47.05 82.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.282 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.47 -40.12 95.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.744 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.475 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.7 tm? -61.23 -42.52 98.75 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.663 0.602 . . . . 0.0 109.803 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.05 -47.54 84.25 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.75 -44.23 97.31 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.958 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -63.98 -40.01 95.42 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.85 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -41.66 90.93 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.273 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.4 -42.63 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' B' ' 14' ' ' ARG . 51.2 ttp180 -60.76 -41.95 96.49 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.189 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -70.06 -43.34 71.4 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.892 0.745 . . . . 0.0 110.943 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.71 127.61 19.39 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.109 0.881 . . . . 0.0 111.07 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SEP . . . . . 0.433 ' P ' HE22 ' C' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.57 HG23 ' CE1' ' C' ' 32' ' ' PHE . 70.7 m -58.23 -47.13 84.49 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 123.137 0.575 . . . . 0.0 109.872 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -92.32 126.62 44.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.112 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.92 143.46 28.52 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.438 ' N ' ' HD2' ' B' ' 21' ' ' PRO . 75.8 mtp -74.6 -50.45 4.49 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.296 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 20' ' ' MET . 34.5 Cg_endo -63.0 140.69 80.44 Favored 'Trans proline' 0 N--CA 1.513 2.631 0 C-N-CA 122.208 1.939 . . . . 0.0 112.182 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.414 HE22 ' P ' ' A' ' 16' ' ' SEP . 2.5 pp0? -155.45 10.0 0.3 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.329 1.018 . . . . 0.0 110.69 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -48.45 -22.86 0.79 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.618 1.167 . . . . 0.0 112.807 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.67 33.56 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.107 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -65.08 -4.57 4.97 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.532 0.52 . . . . 0.0 111.173 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -67.32 -53.01 33.48 Favored 'General case' 0 C--N 1.368 1.37 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 173.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -61.33 -36.41 80.08 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.029 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.61 -39.56 91.68 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' B' ' 33' ' ' ILE . 5.5 tt0 -67.12 -38.04 84.91 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.234 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.02 -44.1 97.43 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.5 tp -62.16 -41.4 98.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 17' ' ' THR . 6.6 m-30 -81.51 -56.31 4.11 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.436 HD12 ' HG2' ' B' ' 29' ' ' GLN . 63.6 mt -62.43 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-O 119.117 -0.468 . . . . 0.0 111.933 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -62.83 -40.16 96.55 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 123.626 0.579 . . . . 0.0 110.255 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 58.2 t80 -58.91 -47.42 85.09 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 123.545 0.528 . . . . 0.0 110.058 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -66.96 -34.59 78.1 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.834 0.709 . . . . 0.0 111.571 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 40' ' ' ILE . 60.9 mt -67.92 -71.36 0.21 Allowed 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -33.95 -43.17 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 123.965 0.906 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 29.7 mt -63.32 -47.47 82.11 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.386 0.274 . . . . 0.0 110.283 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 41' ' ' CYS . 8.2 mm -61.89 -42.93 96.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 124.097 0.873 . . . . 0.0 108.961 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.0 m -56.46 -44.66 80.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.348 0.594 . . . . 0.0 109.726 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.4 -32.12 72.81 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.776 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.07 -29.97 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' B' ' 47' ' ' ILE . 5.8 mp -64.71 -39.53 93.81 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.1 -43.21 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.2 m -64.92 -36.96 86.05 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.707 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' B' ' 44' ' ' LEU . 48.8 mt -62.56 -41.69 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.534 HD12 ' HG3' ' C' ' 50' ' ' MET . 23.3 mm -63.24 -42.99 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.693 0.621 . . . . 0.0 109.596 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.14 -44.46 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.515 ' HG3' HD12 ' A' ' 48' ' ' ILE . 90.2 mmm -66.41 -38.35 87.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.921 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.2 tp -61.39 -41.93 97.91 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.4 HD21 ' CE ' ' C' ' 50' ' ' MET . 35.6 mt . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.32 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.57 -38.23 86.74 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -64.72 -43.35 93.72 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.549 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.99 -44.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 124.1 0.875 . . . . 0.0 109.003 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -56.62 -48.71 76.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.494 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -63.99 -39.96 95.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.829 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.473 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.7 tm? -61.3 -42.93 99.48 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.62 0.575 . . . . 0.0 109.753 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.2 -47.35 84.86 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.71 -44.22 97.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.101 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -64.09 -39.81 94.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.883 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.71 90.77 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.418 0.449 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.51 -42.57 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.508 ' HE ' HH12 ' C' ' 14' ' ' ARG . 51.3 ttp180 -61.06 -41.88 97.44 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.03 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.508 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -70.25 -43.62 70.15 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.978 0.799 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.47 128.34 21.9 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.071 0.857 . . . . 0.0 111.222 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SEP . . . . . 0.421 ' P ' HE22 ' D' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.537 HG23 ' CE1' ' D' ' 32' ' ' PHE . 72.4 m -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.938 0.495 . . . . 0.0 109.97 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 pt -93.07 125.73 45.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.142 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.77 139.7 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.998 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.455 ' N ' ' HD2' ' C' ' 21' ' ' PRO . 75.6 mtp -70.63 -49.45 15.26 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' C' ' 20' ' ' MET . 28.7 Cg_endo -61.73 138.65 76.03 Favored 'Trans proline' 0 N--CA 1.516 2.834 0 C-N-CA 122.088 1.859 . . . . 0.0 112.389 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.433 HE22 ' P ' ' B' ' 16' ' ' SEP . 3.0 pp0? -151.38 6.79 0.49 Allowed 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.745 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLN . . . . . 0.439 HE21 ' H ' ' C' ' 24' ' ' ALA . 2.0 pm0 -47.56 -24.46 0.87 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.416 1.086 . . . . 0.0 112.592 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.439 ' H ' HE21 ' C' ' 23' ' ' GLN . . . -85.62 134.64 33.99 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.511 0.507 . . . . 0.0 109.817 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.408 ' HA ' HH11 ' C' ' 25' ' ' ARG . 4.2 mmt-85 -65.51 -2.24 3.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 123.368 0.418 . . . . 0.0 110.922 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.78 -53.32 22.45 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.521 HD22 ' HD2' ' D' ' 25' ' ' ARG . 8.4 m120 -59.98 -36.85 78.03 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.784 1.303 . . . . 0.0 111.754 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.48 -40.22 93.78 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' C' ' 33' ' ' ILE . 5.6 tt0 -67.6 -38.58 84.18 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.601 177.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.92 -43.76 98.17 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.92 -42.27 98.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.811 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' B' ' 17' ' ' THR . 6.4 m-30 -81.63 -55.91 4.35 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.455 HD12 ' HG2' ' C' ' 29' ' ' GLN . 65.1 mt -62.51 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.33 -41.14 98.87 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.275 0.36 . . . . 0.0 110.313 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.6 t80 -57.14 -46.76 82.42 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.499 0.5 . . . . 0.0 110.535 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -49.46 70.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.315 179.127 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.712 0.633 . . . . 0.0 109.919 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.47 -43.98 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 124.145 0.903 . . . . 0.0 108.915 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.495 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.2 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.27 -44.17 99.04 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 73.4 m -56.98 -44.79 83.03 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.876 0.735 . . . . 0.0 110.329 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.07 -33.41 75.73 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.977 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' C' ' 43' ' ' LEU . 8.5 tp -76.21 -30.52 58.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.849 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.563 HD23 HD11 ' D' ' 47' ' ' ILE . 5.9 mp -64.75 -39.31 93.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.31 -43.14 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -64.85 -37.17 86.73 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.926 0.766 . . . . 0.0 109.659 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 44' ' ' LEU . 48.9 mt -62.34 -41.78 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.497 HD12 ' HG3' ' D' ' 50' ' ' MET . 23.4 mm -63.59 -42.75 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.02 -44.28 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.534 ' HG3' HD12 ' B' ' 48' ' ' ILE . 90.3 mmm -66.47 -38.38 87.19 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.078 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.46 -41.8 97.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.401 HD21 ' CE ' ' D' ' 50' ' ' MET . 36.8 mt . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.219 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.52 -38.82 78.51 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.774 0.43 . . . . 0.0 109.897 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.73 -43.38 96.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.833 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.08 -45.74 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.859 0.724 . . . . 0.0 109.249 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -57.22 -47.28 81.71 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.441 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -64.14 -40.34 95.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.736 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.487 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -61.36 -42.53 98.85 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.056 0.847 . . . . 0.0 109.729 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -61.76 -47.69 84.08 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.61 -43.99 97.83 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.152 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.8 m -64.25 -39.89 94.88 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.936 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.91 91.1 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.448 0.467 . . . . 0.0 110.233 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.26 -42.8 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.509 ' HE ' HH12 ' D' ' 14' ' ' ARG . 51.4 ttp180 -60.7 -41.85 96.0 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.997 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.509 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -70.14 -42.91 71.92 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 123.92 0.762 . . . . 0.0 110.994 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.12 128.62 20.16 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.859 0.725 . . . . 0.0 111.203 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SEP . . . . . 0.41 ' P ' HE22 ' E' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.557 HG23 ' CE1' ' E' ' 32' ' ' PHE . 69.9 m -58.75 -47.28 85.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.19 0.596 . . . . 0.0 109.799 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 pt -92.61 126.36 45.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.114 0.884 . . . . 0.0 109.083 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -146.82 142.35 27.6 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.314 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.437 ' N ' ' HD2' ' D' ' 21' ' ' PRO . 76.3 mtp -73.79 -50.02 5.84 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.262 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' D' ' 20' ' ' MET . 32.7 Cg_endo -63.03 141.49 83.88 Favored 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.004 1.803 . . . . 0.0 112.258 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.421 HE22 ' P ' ' C' ' 16' ' ' SEP . 2.5 pp0? -156.16 11.53 0.28 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.45 1.094 . . . . 0.0 110.217 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -50.33 -20.93 1.21 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.228 1.011 . . . . 0.0 112.151 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.46 132.75 33.9 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.904 0.752 . . . . 0.0 109.198 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.521 ' HD2' HD22 ' C' ' 27' ' ' ASN . 7.2 mmt-85 -66.69 -3.1 5.82 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.67 0.606 . . . . 0.0 111.257 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.74 -52.1 34.25 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.87 -37.15 81.16 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.546 -1.661 . . . . 0.0 111.005 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.02 -39.19 91.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' D' ' 33' ' ' ILE . 5.9 tt0 -67.52 -37.76 83.24 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.086 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.01 -44.16 97.31 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -62.06 -41.79 98.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.96 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.537 ' CE1' HG23 ' C' ' 17' ' ' THR . 6.6 m-30 -81.18 -55.8 4.5 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' D' ' 29' ' ' GLN . 61.2 mt -63.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.839 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -63.88 -41.01 97.84 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 119.061 -0.495 . . . . 0.0 109.931 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 60.4 t80 -56.87 -46.59 81.71 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.916 0.76 . . . . 0.0 110.142 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -64.52 -49.78 69.95 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.25 0.344 . . . . 0.0 110.724 178.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.32 -43.18 96.61 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.734 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.98 -43.22 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 124.252 0.97 . . . . 0.0 109.122 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 34.0 mt -61.97 -42.16 98.82 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.43 -43.67 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.1 m -57.69 -46.1 84.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.5 -37.8 88.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.655 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.28 -52.03 51.56 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.85 -0.595 . . . . 0.0 109.546 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' D' ' 47' ' ' ILE . 6.0 mp -48.82 -38.88 23.43 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.684 0.675 . . . . 0.0 110.686 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.58 -44.4 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.63 -34.15 77.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.986 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' D' ' 44' ' ' LEU . 80.2 mt -62.62 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.496 HD12 ' HG3' ' E' ' 50' ' ' MET . 23.2 mm -63.35 -42.47 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.86 -43.9 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.497 ' HG3' HD12 ' C' ' 48' ' ' ILE . 90.2 mmm -66.27 -38.69 88.39 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.88 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.69 -41.77 98.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.406 HD21 ' CE ' ' E' ' 50' ' ' MET . 36.5 mt . . . . . 0 CA--C 1.543 0.708 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.261 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.76 -38.45 81.82 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.25 -43.54 94.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.835 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.81 -45.91 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 124.157 0.91 . . . . 0.0 109.087 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.19 -47.14 81.98 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.588 1.18 . . . . 0.0 109.176 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.53 -40.17 95.12 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.87 0.731 . . . . 0.0 109.839 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.503 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.9 tm? -60.98 -42.52 98.52 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.636 0.585 . . . . 0.0 109.975 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -62.15 -47.58 83.93 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -61.79 -43.89 97.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.931 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -39.8 94.63 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.016 0.823 . . . . 0.0 110.829 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.75 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.42 0.45 . . . . 0.0 110.123 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.38 -42.9 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.503 ' HE ' HH12 ' E' ' 14' ' ' ARG . 51.4 ttp180 -60.57 -41.86 95.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.969 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.503 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -70.23 -42.88 71.68 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.839 0.712 . . . . 0.0 111.082 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.84 128.47 20.29 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 123.847 0.717 . . . . 0.0 111.299 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' SEP . . . . . 0.421 ' P ' HE22 ' A' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 32' ' ' PHE . 72.3 m -58.24 -47.24 84.16 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 123.005 0.522 . . . . 0.0 110.012 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 pt -92.25 126.13 44.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.309 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -146.83 142.88 28.16 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.381 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.44 ' N ' ' HD2' ' E' ' 21' ' ' PRO . 75.2 mtp -73.88 -50.2 5.62 Favored Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.438 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' E' ' 20' ' ' MET . 33.8 Cg_endo -63.07 141.2 82.44 Favored 'Trans proline' 0 N--CA 1.51 2.458 0 C-N-CA 122.121 1.88 . . . . 0.0 112.155 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.41 HE22 ' P ' ' D' ' 16' ' ' SEP . 2.5 pp0? -155.97 10.22 0.27 Allowed 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.13 0.893 . . . . 0.0 110.709 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -48.22 -23.17 0.8 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.663 1.185 . . . . 0.0 112.79 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.74 134.75 33.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.081 0.552 . . . . 0.0 109.536 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.42 HH11 ' HA ' ' E' ' 25' ' ' ARG . 4.5 mmt-85 -65.32 -3.69 4.43 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.283 0.563 . . . . 0.0 111.597 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.34 -52.93 27.86 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -61.15 -37.29 82.34 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.243 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.73 -39.92 93.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.429 ' HG2' HD12 ' E' ' 33' ' ' ILE . 5.5 tt0 -66.43 -37.93 86.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.026 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.2 -44.5 96.45 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -61.48 -41.92 98.0 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.94 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' D' ' 17' ' ' THR . 7.4 m-30 -81.56 -55.97 4.33 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' E' ' 29' ' ' GLN . 64.0 mt -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.711 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.23 -40.94 98.88 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.621 0.576 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -57.65 -46.01 84.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.218 0.324 . . . . 0.0 110.644 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.45 -49.2 72.4 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.583 0.552 . . . . 0.0 110.595 178.399 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.07 -42.41 98.45 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.625 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.58 -44.51 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 35.2 mt -61.96 -42.22 98.87 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.215 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mm -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.07 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 70.8 m -58.59 -45.09 89.84 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.07 -38.39 90.91 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.363 1.039 . . . . 0.0 109.53 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.16 -51.35 61.68 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.7 mp -49.75 -38.91 35.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 118.503 0.592 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.84 -44.33 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.33 -34.2 77.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.153 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.9 mt -62.53 -41.56 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 50' ' ' MET . 22.6 mm -63.35 -42.47 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.13 -43.92 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.781 0.676 . . . . 0.0 109.298 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.496 ' HG3' HD12 ' D' ' 48' ' ' ILE . 90.0 mmm -66.38 -38.65 88.03 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.942 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.64 -41.85 98.08 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.414 HD21 ' CE ' ' A' ' 50' ' ' MET . 34.8 mt . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.289 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.85 -36.41 81.14 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.42 -41.82 93.14 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 124.406 1.066 . . . . 0.0 109.618 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.01 -44.61 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.97 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.46 -40.85 93.69 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.675 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.87 -40.58 93.53 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 124.026 0.828 . . . . 0.0 109.208 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.77 98.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 m -62.7 -45.99 90.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.442 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.39 -42.38 99.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.294 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.19 -40.82 98.59 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.938 0.774 . . . . 0.0 110.424 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.85 91.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.8 ttp180 -58.41 -41.53 85.17 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.604 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -70.58 -41.34 72.51 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.754 0.659 . . . . 0.0 109.755 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.26 19.11 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.346 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -173.61 68.73 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 O-C-N 124.067 0.854 . . . . 0.0 109.548 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 14' ' ' ARG . 1.1 pt -78.27 111.6 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -113.98 125.37 53.94 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -99.05 171.53 5.62 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.338 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.45 -8.74 4.19 Favored 'Trans proline' 0 N--CA 1.515 2.79 0 C-N-CA 121.803 1.669 . . . . 0.0 111.979 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -51.44 -27.29 9.89 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.268 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -52.99 -36.19 60.11 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 26' ' ' GLN . . . -67.44 -27.54 67.13 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 79.19 -31.49 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 123.956 0.902 . . . . 0.0 108.865 -175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 24' ' ' ALA . 35.2 mt-30 -60.49 -38.54 84.6 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -68.36 -32.0 71.79 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.026 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.26 -39.73 83.77 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG2' HD12 ' A' ' 33' ' ' ILE . 12.8 tt0 -59.54 -36.89 77.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.699 0.625 . . . . 0.0 110.518 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.82 -45.47 89.9 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.679 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.68 -45.96 92.19 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.475 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.85 -52.65 41.07 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 123.892 0.745 . . . . 0.0 112.61 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' A' ' 29' ' ' GLN . 84.3 mt -64.23 -45.53 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 122.947 0.154 . . . . 0.0 110.95 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.93 -42.79 99.92 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 39' ' ' LEU . 66.4 t80 -59.02 -48.23 82.33 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.727 0.642 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.74 -33.79 76.68 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.689 0.618 . . . . 0.0 111.731 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ILE . 45.1 mt -67.56 -69.12 0.33 Allowed 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.6 mt -33.14 -41.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 124.926 1.391 . . . . 0.0 110.369 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 35' ' ' PHE . 34.0 mt -62.98 -45.09 94.09 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.654 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.739 HD11 ' SG ' ' E' ' 41' ' ' CYS . 9.2 mm -62.77 -42.72 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 35.5 m -54.69 -49.47 70.59 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.189 0.93 . . . . 0.0 109.023 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.7 -37.9 87.74 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.683 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.63 -27.9 58.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.702 0.401 . . . . 0.0 111.522 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD11 HG23 ' B' ' 40' ' ' ILE . 10.6 mt -70.11 -37.9 75.47 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 49' ' ' VAL . 71.2 mt -63.27 -42.17 95.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.74 -38.67 88.79 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.53 0.519 . . . . 0.0 109.916 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 44' ' ' LEU . 59.5 mt -64.9 -43.68 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.26 -44.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 45' ' ' ILE . 43.1 t -61.43 -42.04 92.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 123.828 0.705 . . . . 0.0 109.486 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mmm -60.05 -50.58 73.15 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.85 -41.16 90.83 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.231 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.548 0.901 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.269 177.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.95 -35.88 79.77 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.588 0.555 . . . . 0.0 109.756 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -65.85 -41.71 91.38 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 124.445 1.091 . . . . 0.0 109.594 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.97 -44.41 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.105 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.02 -40.78 91.36 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 123.967 0.792 . . . . 0.0 109.469 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.83 -40.49 92.95 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.744 0.652 . . . . 0.0 109.288 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -43.83 98.06 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -62.7 -46.0 90.18 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.359 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.48 -42.44 99.49 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.261 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -62.95 -40.67 98.36 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.915 0.759 . . . . 0.0 110.359 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.6 92.02 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.575 0.547 . . . . 0.0 109.743 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.77 -42.7 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.182 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.8 ttp180 -58.27 -41.8 85.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.518 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -70.47 -41.54 72.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.946 0.779 . . . . 0.0 109.618 178.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -7.4 18.11 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.345 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -173.61 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.165 0.916 . . . . 0.0 109.543 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.401 HG23 ' O ' ' B' ' 14' ' ' ARG . 1.1 pt -77.8 111.85 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -113.98 125.41 53.98 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.922 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -99.24 171.58 5.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.135 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.74 -8.51 4.39 Favored 'Trans proline' 0 N--CA 1.515 2.771 0 C-N-CA 121.795 1.664 . . . . 0.0 112.207 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -51.74 -27.14 11.07 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.364 1.466 . . . . 0.0 113.471 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -52.6 -35.87 55.12 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 26' ' ' GLN . . . -67.03 -29.65 69.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 81.19 -32.12 0.11 Allowed 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 124.338 1.055 . . . . 0.0 108.763 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 24' ' ' ALA . 35.1 mt-30 -59.59 -39.37 83.94 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -68.61 -31.39 70.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.514 -1.676 . . . . 0.0 111.781 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.35 -39.93 84.78 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' B' ' 33' ' ' ILE . 12.8 tt0 -59.74 -36.69 77.11 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.441 0.463 . . . . 0.0 110.708 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.72 -45.07 90.4 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.075 0.86 . . . . 0.0 109.706 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.94 -46.29 91.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.704 0.627 . . . . 0.0 111.652 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.82 -52.23 46.26 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' B' ' 29' ' ' GLN . 79.4 mt -64.34 -45.25 96.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 123.533 0.521 . . . . 0.0 110.848 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.26 -41.41 96.96 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 123.334 0.396 . . . . 0.0 110.663 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 65.0 t80 -57.51 -47.94 80.61 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 111.028 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -62.97 -51.79 65.49 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.713 0.633 . . . . 0.0 109.858 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.52 -43.13 79.51 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.334 1.021 . . . . 0.0 110.872 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.72 -42.24 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 125.562 1.788 . . . . 0.0 108.474 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 58.2 mt -64.24 -41.31 97.05 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.627 HG23 HD11 ' A' ' 44' ' ' LEU . 31.6 mm -62.1 -44.01 98.47 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 64.5 m -56.41 -50.82 70.51 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.936 0.773 . . . . 0.0 109.404 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.36 -39.12 93.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.684 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 44' ' ' LEU . 13.0 tp -75.41 -28.11 59.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.619 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.493 HD11 HG23 ' C' ' 40' ' ' ILE . 8.4 mt -69.92 -37.69 76.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.407 ' O ' HG23 ' B' ' 49' ' ' VAL . 71.2 mt -63.24 -42.04 94.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -61.52 -38.62 88.05 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.509 0.506 . . . . 0.0 110.067 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 44' ' ' LEU . 60.6 mt -64.88 -43.45 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.405 HD11 HG13 ' C' ' 47' ' ' ILE . 8.8 mm -64.27 -44.46 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 45' ' ' ILE . 44.3 t -61.2 -42.23 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.882 0.739 . . . . 0.0 109.647 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 11.5 mmm -60.01 -50.77 72.42 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.7 mt -59.55 -41.12 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.859 0.724 . . . . 0.0 110.032 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.21 178.202 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.2 -36.38 81.76 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.62 -41.87 92.22 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 124.222 0.952 . . . . 0.0 109.396 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.24 -43.8 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.911 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.88 -42.21 94.99 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 124.087 0.867 . . . . 0.0 109.916 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.66 -40.41 91.97 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.761 0.663 . . . . 0.0 109.332 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.406 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.7 -44.06 97.66 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.019 0.824 . . . . 0.0 108.911 179.047 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -62.93 -46.06 89.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.45 -42.36 99.41 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.445 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.819 0.699 . . . . 0.0 110.261 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.68 91.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.607 0.567 . . . . 0.0 109.723 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -42.82 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.161 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -58.41 -41.51 85.1 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.668 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -70.64 -41.13 72.58 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.818 0.699 . . . . 0.0 109.813 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -7.3 18.63 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.5 t -173.53 67.93 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.31 1.006 . . . . 0.0 109.583 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.403 HG23 ' O ' ' C' ' 14' ' ' ARG . 1.1 pt -77.56 111.77 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -113.98 125.65 54.26 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.889 0.743 . . . . 0.0 110.826 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.72 171.4 5.66 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.343 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.39 -8.61 3.98 Favored 'Trans proline' 0 N--CA 1.519 3.012 0 C-N-CA 121.959 1.773 . . . . 0.0 112.095 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.75 -28.07 14.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.306 1.443 . . . . 0.0 113.461 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.72 -35.11 55.25 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' C' ' 26' ' ' GLN . . . -67.93 -27.23 66.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 79.12 -32.55 0.15 Allowed 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 123.931 0.892 . . . . 0.0 109.528 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' C' ' 24' ' ' ALA . 84.0 mt-30 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -68.94 -30.91 69.46 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.915 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -39.69 85.03 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.96 -37.12 78.65 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 123.496 0.498 . . . . 0.0 110.379 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.69 -45.3 89.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.919 0.762 . . . . 0.0 109.655 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.83 -45.83 92.92 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.839 0.712 . . . . 0.0 111.203 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -67.01 -52.86 37.29 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.96 -45.56 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.596 0.56 . . . . 0.0 110.461 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -64.19 -41.18 97.2 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 123.732 0.645 . . . . 0.0 110.531 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 65.6 t80 -57.38 -47.04 82.71 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 123.718 0.636 . . . . 0.0 111.276 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -62.64 -54.51 38.38 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.519 0.512 . . . . 0.0 109.715 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.85 -42.66 72.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.866 0.729 . . . . 0.0 110.578 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.08 -43.05 80.58 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 59.5 mt -63.67 -42.27 98.07 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.62 HG22 ' CD1' ' C' ' 44' ' ' LEU . 36.8 mm -59.29 -48.03 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 61.7 m -54.7 -48.66 72.17 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.016 0.526 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.78 -36.29 83.4 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.872 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 44' ' ' LEU . 9.3 tp -76.33 -30.12 57.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.39 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.663 HD13 HD12 ' D' ' 40' ' ' ILE . 2.3 mp -68.88 -36.83 78.55 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.411 ' O ' HG23 ' C' ' 49' ' ' VAL . 72.4 mt -63.24 -42.57 96.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.95 -38.99 90.59 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 123.804 0.69 . . . . 0.0 110.138 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' C' ' 44' ' ' LEU . 59.6 mt -64.51 -43.51 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.41 HD11 ' CG1' ' D' ' 47' ' ' ILE . 8.5 mm -64.31 -44.13 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.617 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.411 HG23 ' O ' ' C' ' 45' ' ' ILE . 42.9 t -61.28 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 124.028 0.83 . . . . 0.0 109.187 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 12.3 mmm -60.01 -50.93 71.79 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.24 -41.61 89.13 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 CA--C 1.546 0.81 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.275 178.062 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.29 -36.56 80.4 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.74 -41.56 92.04 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.235 0.959 . . . . 0.0 109.335 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.36 -43.99 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.24 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -66.17 -40.61 90.64 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 124.052 0.845 . . . . 0.0 109.476 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -61.03 -40.3 93.06 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.757 0.661 . . . . 0.0 109.448 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.406 ' O ' HD13 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.08 -43.41 98.9 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.4 m -62.99 -46.06 89.49 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.425 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.52 -42.24 99.39 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.255 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.16 -40.74 98.41 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.977 0.798 . . . . 0.0 110.39 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.49 92.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.722 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.78 -42.76 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.122 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.9 ttp180 -58.3 -41.6 84.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.623 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.55 -41.32 72.61 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.904 0.753 . . . . 0.0 109.608 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.4 19.25 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.282 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -173.68 68.62 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.083 0.864 . . . . 0.0 109.619 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.408 HG23 ' O ' ' D' ' 14' ' ' ARG . 1.1 pt -77.85 111.31 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -113.68 125.51 54.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.005 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.58 171.86 5.22 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.296 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.92 -8.43 4.57 Favored 'Trans proline' 0 N--CA 1.518 2.932 0 C-N-CA 121.914 1.743 . . . . 0.0 111.942 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -51.7 -27.17 10.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.109 1.364 . . . . 0.0 113.333 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.46 -35.93 61.06 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' D' ' 26' ' ' GLN . . . -67.24 -27.9 67.61 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 79.58 -32.71 0.14 Allowed 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 123.821 0.848 . . . . 0.0 109.108 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' D' ' 24' ' ' ALA . 35.5 mt-30 -59.61 -38.33 81.0 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 175.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -69.02 -32.05 71.3 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.474 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.04 -39.32 81.62 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -59.33 -37.32 77.51 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.39 0.431 . . . . 0.0 110.776 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.893 0.745 . . . . 0.0 110.12 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.68 -45.36 94.44 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.92 -53.02 36.11 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.06 -45.31 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 123.568 0.543 . . . . 0.0 110.788 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -63.31 -42.17 98.99 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.326 0.392 . . . . 0.0 110.568 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.72 -47.43 82.42 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.597 0.561 . . . . 0.0 111.257 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -62.88 -51.36 67.26 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 53.3 mt -58.07 -42.95 86.63 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.755 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -57.01 -41.78 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 125.186 1.554 . . . . 0.0 108.462 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 123.912 0.757 . . . . 0.0 110.082 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.663 HD12 HD13 ' C' ' 44' ' ' LEU . 34.3 mm -63.56 -43.82 98.41 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 61.0 m -54.83 -49.97 69.75 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.83 -41.53 97.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.467 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.7 -51.21 61.14 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.614 HD11 HG23 ' E' ' 40' ' ' ILE . 13.3 mt -50.74 -37.34 41.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.727 0.411 . . . . 0.0 110.638 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.479 ' O ' HG23 ' D' ' 49' ' ' VAL . 70.3 mt -64.18 -43.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.33 -36.41 84.03 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' D' ' 44' ' ' LEU . 75.9 mt -64.28 -43.63 97.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.07 -43.75 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.31 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 45' ' ' ILE . 48.9 t -61.2 -41.75 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.455 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 11.4 mmm -59.44 -51.16 71.08 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.71 -40.77 89.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.601 0.563 . . . . 0.0 110.123 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.616 178.118 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.04 -36.46 81.67 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -65.41 -41.54 93.5 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.398 1.061 . . . . 0.0 109.582 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.9 -44.8 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.51 -40.77 93.38 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.575 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.09 -40.34 93.35 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.953 0.783 . . . . 0.0 109.275 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.411 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.76 -43.87 98.01 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -62.88 -46.1 89.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.402 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.35 -42.22 99.22 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.402 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.27 -40.62 97.9 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.918 0.761 . . . . 0.0 110.428 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.7 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.5 -42.84 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.332 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.8 ttp180 -58.21 -41.75 84.7 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.606 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.32 -41.32 73.41 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.863 0.727 . . . . 0.0 109.91 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -7.53 19.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.35 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -173.49 68.19 0.03 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.002 0.814 . . . . 0.0 109.672 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.411 HG23 ' O ' ' E' ' 14' ' ' ARG . 1.1 pt -77.83 111.96 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -114.15 125.02 53.48 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.048 0.843 . . . . 0.0 110.869 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.79 171.7 5.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.411 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.39 -8.88 4.23 Favored 'Trans proline' 0 N--CA 1.515 2.778 0 C-N-CA 122.105 1.87 . . . . 0.0 111.952 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.46 -27.44 10.4 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.184 1.394 . . . . 0.0 112.921 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.59 -35.16 60.56 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.271 0.357 . . . . 0.0 111.521 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' E' ' 26' ' ' GLN . . . -67.93 -27.44 66.63 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 79.5 -32.61 0.14 Allowed 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.94 0.896 . . . . 0.0 109.039 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' E' ' 24' ' ' ALA . 83.0 mt-30 -59.71 -38.48 81.76 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.43 -31.86 71.48 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.691 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.22 -39.68 83.48 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -60.04 -37.27 79.31 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 123.821 0.701 . . . . 0.0 110.4 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.26 -45.32 88.02 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.721 0.638 . . . . 0.0 109.946 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.89 -46.11 91.92 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.24 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -66.43 -52.41 46.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.32 -45.37 96.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 123.633 0.583 . . . . 0.0 110.806 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.92 -42.11 97.47 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 0.0 109.916 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 69.0 t80 -57.31 -47.08 82.44 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.519 0.512 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.1 t -61.11 -58.3 8.92 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' E' ' 40' ' ' ILE . 54.1 mt -46.12 -70.46 0.1 Allowed 'General case' 0 C--O 1.195 -1.807 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -32.32 -44.47 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 124.047 0.842 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 57.8 mt -64.83 -43.29 93.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 117.703 0.229 . . . . 0.0 110.754 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.614 HG23 HD11 ' D' ' 44' ' ' LEU . 22.4 mm -59.62 -45.08 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 20.8 m -57.08 -49.54 75.55 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.136 0.898 . . . . 0.0 109.267 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.18 -40.63 98.06 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.362 1.039 . . . . 0.0 110.821 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' D' ' 44' ' ' LEU . 4.7 tp -65.49 -51.55 59.24 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' ' 40' ' ' ILE . 9.4 mt -52.8 -36.49 58.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.656 0.383 . . . . 0.0 110.236 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.459 ' O ' HG23 ' E' ' 49' ' ' VAL . 69.1 mt -64.13 -43.25 97.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.369 0.418 . . . . 0.0 109.91 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' E' ' 44' ' ' LEU . 79.0 mt -64.56 -43.72 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.408 HD11 HG13 ' A' ' 47' ' ' ILE . 8.8 mm -64.37 -43.66 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.029 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.459 HG23 ' O ' ' E' ' 45' ' ' ILE . 53.3 t -61.24 -42.08 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 123.86 0.725 . . . . 0.0 109.585 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 12.0 mmm -59.91 -50.88 72.05 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.33 -41.21 88.61 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 123.519 0.512 . . . . 0.0 110.063 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.373 178.333 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.39 -35.96 70.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.259 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.7 -42.43 97.97 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.337 1.023 . . . . 0.0 109.67 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -64.84 -44.14 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 123.958 0.786 . . . . 0.0 109.009 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -59.82 -44.98 93.75 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.294 0.996 . . . . 0.0 109.277 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.79 -40.77 98.36 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.498 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.72 -42.72 99.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.32 -46.12 90.17 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.893 0.746 . . . . 0.0 109.287 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.54 -41.81 99.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.849 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -64.71 -39.57 93.89 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.77 94.49 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.8 -42.64 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.701 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.3 ttp180 -59.92 -41.96 92.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.258 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.474 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -64.69 -45.12 87.99 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.845 0.716 . . . . 0.0 109.651 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -24.97 68.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.644 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -66.34 -34.68 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.272 0.358 . . . . 0.0 110.819 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -95.99 128.0 47.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 123.764 0.665 . . . . 0.0 109.787 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.84 164.4 12.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.129 0.893 . . . . 0.0 110.822 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.12 125.41 62.26 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.493 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.09 54.46 4.63 Favored 'Trans proline' 0 N--CA 1.516 2.796 0 C-N-CA 123.105 2.537 . . . . 0.0 110.794 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.0 pt20 -159.46 67.81 0.41 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.165 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -72.37 -73.38 0.2 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.847 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.92 171.37 13.94 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.156 0.285 . . . . 0.0 111.025 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 28' ' ' LEU . 34.9 ptt-85 -64.14 -18.58 64.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.922 0.764 . . . . 0.0 110.943 177.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.537 HE21 HH21 ' B' ' 25' ' ' ARG . 37.2 mt-30 -84.13 -45.32 13.12 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.937 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.31 -35.21 80.3 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.073 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' HB2' ' A' ' 22' ' ' GLN . 7.3 mt -61.97 -42.77 99.5 Favored 'General case' 0 C--N 1.344 0.359 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -64.98 -37.53 87.95 Favored 'General case' 0 C--O 1.221 -0.396 0 O-C-N 123.892 0.745 . . . . 0.0 111.374 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.35 -48.69 80.69 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.23 -41.46 99.1 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.577 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.98 -64.02 0.99 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.635 HG23 HD11 ' E' ' 37' ' ' LEU . 63.3 mt -61.83 -47.39 93.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.892 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -60.79 -41.32 95.38 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 36.9 t80 -58.65 -45.11 90.04 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.469 0.481 . . . . 0.0 109.928 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -66.3 -39.17 89.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 112.335 178.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' CD1' HG23 ' B' ' 33' ' ' ILE . 37.6 mt -67.83 -45.53 74.41 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 122.257 1.027 . . . . 0.0 109.437 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.88 -43.98 89.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-N 113.462 -1.699 . . . . 0.0 109.196 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.7 mt -60.93 -46.25 91.42 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 124.117 0.886 . . . . 0.0 109.143 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG23 HD13 ' E' ' 44' ' ' LEU . 66.2 mt -66.01 -41.47 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 124.091 0.869 . . . . 0.0 110.667 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.2 m -55.99 -48.59 75.59 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.18 -38.09 89.81 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.058 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.43 -28.33 61.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 122.904 0.482 . . . . 0.0 111.201 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 47' ' ' ILE . 9.4 mt -68.22 -38.2 81.64 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.33 -42.55 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.32 -35.21 79.61 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 44' ' ' LEU . 40.8 mt -62.55 -41.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.49 HD12 ' HG3' ' B' ' 50' ' ' MET . 28.9 mm -64.09 -42.41 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.6 -43.11 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.485 ' HG3' HD12 ' E' ' 48' ' ' ILE . 86.0 mmm -66.34 -37.04 84.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.042 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.81 -42.45 99.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.938 177.204 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.42 -35.44 70.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.893 0.378 . . . . 0.0 110.154 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.08 -42.68 96.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.537 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.54 -43.21 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 124.018 0.824 . . . . 0.0 109.331 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.344 0.329 0 O-C-N 124.328 1.017 . . . . 0.0 108.995 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.0 -41.06 99.48 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.0 OUTLIER -61.73 -43.13 99.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -62.58 -45.53 92.48 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.71 -41.88 99.37 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.878 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.54 -39.48 93.85 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.284 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.78 94.37 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.65 -42.73 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.692 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.4 ttp180 -59.83 -42.04 92.65 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.233 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -64.68 -45.04 88.38 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.841 0.713 . . . . 0.0 109.571 178.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.07 -24.95 68.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.581 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.9 p -66.2 -34.74 78.71 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.375 0.422 . . . . 0.0 110.888 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -96.02 128.66 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 123.978 0.799 . . . . 0.0 109.609 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.37 164.21 12.52 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.022 0.826 . . . . 0.0 110.772 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 126.18 60.23 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.377 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.58 54.67 4.86 Favored 'Trans proline' 0 N--CA 1.518 2.94 0 C-N-CA 123.133 2.556 . . . . 0.0 111.14 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.551 ' HB2' HD23 ' B' ' 28' ' ' LEU . 2.1 pt20 -159.6 68.33 0.41 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.124 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -72.8 -73.48 0.2 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.615 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.28 171.48 12.68 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.913 0.485 . . . . 0.0 110.96 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.537 HH21 HE21 ' A' ' 26' ' ' GLN . 35.7 ptt-85 -62.62 -18.03 61.43 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.336 1.065 . . . . 0.0 110.582 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.408 HE21 HE22 ' A' ' 26' ' ' GLN . 81.2 mt-30 -82.37 -51.43 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.674 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.08 -34.06 76.78 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.91 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' B' ' 22' ' ' GLN . 8.4 mt -61.95 -43.51 98.69 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.22 -37.08 84.68 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 123.711 0.632 . . . . 0.0 111.247 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.01 -48.27 82.21 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.02 -41.29 97.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.553 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -71.05 -64.0 0.99 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 37' ' ' LEU . 59.5 mt -61.52 -47.68 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.02 -41.64 96.94 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.831 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' B' ' 39' ' ' LEU . 38.1 t80 -59.17 -44.65 92.15 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.588 0.555 . . . . 0.0 109.657 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -66.59 -38.96 88.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 123.638 0.586 . . . . 0.0 111.766 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' C' ' 33' ' ' ILE . 24.1 mt -68.51 -46.44 69.6 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.715 0.769 . . . . 0.0 109.192 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.37 -43.01 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 113.021 -1.899 . . . . 0.0 109.114 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' B' ' 35' ' ' PHE . 19.8 mt -62.11 -44.24 97.09 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' A' ' 44' ' ' LEU . 63.0 mt -66.97 -41.73 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.304 1.002 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.9 m -56.05 -47.74 77.34 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.89 -38.11 89.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.941 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.08 -27.23 60.8 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.833 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.654 ' HA ' HD12 ' B' ' 47' ' ' ILE . 7.9 mt -69.48 -37.78 77.39 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.82 -42.49 96.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.64 -35.16 79.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.473 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' B' ' 44' ' ' LEU . 42.1 mt -62.95 -41.65 93.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' C' ' 50' ' ' MET . 29.3 mm -63.73 -42.5 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 123.47 0.481 . . . . 0.0 109.85 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -43.16 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.49 ' HG3' HD12 ' A' ' 48' ' ' ILE . 85.5 mmm -66.11 -37.53 85.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.9 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.421 HD23 ' C ' ' B' ' 51' ' ' LEU . 9.6 tt -61.62 -42.48 98.95 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.091 177.252 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -57.2 -35.96 70.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.86 -42.27 97.57 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.144 0.903 . . . . 0.0 109.598 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 50.8 t -64.75 -43.33 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -61.08 -44.71 96.96 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.05 0.843 . . . . 0.0 109.102 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -62.89 -41.3 99.38 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.457 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.458 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.0 OUTLIER -61.58 -43.04 99.6 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.98 0.8 . . . . 0.0 109.295 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.5 m -63.03 -45.24 93.22 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.73 -41.72 99.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.075 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.61 -39.3 93.47 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.05 93.19 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.37 -42.84 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.772 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.7 ttp180 -59.88 -41.9 92.59 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.183 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -64.67 -45.16 87.88 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 178.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.11 -24.83 68.08 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.591 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 24.4 p -66.1 -34.75 78.77 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.337 0.398 . . . . 0.0 110.866 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -95.87 128.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 O-C-N 123.913 0.758 . . . . 0.0 109.656 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 164.34 12.36 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.081 0.863 . . . . 0.0 110.863 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 126.05 60.64 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.614 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.54 54.83 4.91 Favored 'Trans proline' 0 N--CA 1.515 2.741 0 C-N-CA 123.19 2.593 . . . . 0.0 111.172 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.541 ' HB2' HD23 ' C' ' 28' ' ' LEU . 2.1 pt20 -159.79 68.14 0.39 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.05 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -72.01 -73.99 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.926 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.55 171.54 13.25 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.499 0.499 . . . . 0.0 111.255 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' C' ' 28' ' ' LEU . 34.3 ptt-85 -63.93 -17.21 63.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.126 0.891 . . . . 0.0 110.458 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -82.66 -50.28 8.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.429 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.79 -35.17 78.98 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.005 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' C' ' 22' ' ' GLN . 8.1 mt -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.45 -36.67 84.59 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 124.075 0.86 . . . . 0.0 111.638 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.21 -48.71 80.61 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.38 -41.38 98.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.317 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.91 -62.9 1.22 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.9 mt -62.97 -46.44 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.405 -176.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -60.8 -41.71 96.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.416 0.553 . . . . 0.0 110.154 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 39.0 t80 -58.74 -44.94 90.65 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.809 0.693 . . . . 0.0 109.138 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.33 -52.78 62.3 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.697 0.623 . . . . 0.0 109.953 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.648 HD11 HG23 ' D' ' 33' ' ' ILE . 18.1 mt -52.93 -74.46 0.04 OUTLIER 'General case' 0 C--O 1.194 -1.837 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -33.37 -45.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 125.365 1.666 . . . . 0.0 110.835 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.22 -47.1 85.94 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-O 121.215 0.531 . . . . 0.0 110.731 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.588 HG23 HD13 ' B' ' 44' ' ' LEU . 62.1 mt -64.23 -42.02 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.902 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 56.2 m -55.05 -48.99 72.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.33 -38.18 90.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.43 -27.0 61.19 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.604 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' C' ' 47' ' ' ILE . 8.1 mt -70.09 -37.65 75.47 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.03 -42.36 95.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -63.19 -35.36 80.04 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' C' ' 44' ' ' LEU . 41.5 mt -62.74 -41.57 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.556 HD11 HG12 ' D' ' 47' ' ' ILE . 28.2 mm -64.12 -42.2 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 123.662 0.601 . . . . 0.0 109.694 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.49 -43.15 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.485 ' HG3' HD12 ' B' ' 48' ' ' ILE . 85.4 mmm -66.41 -37.03 84.31 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.058 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.421 ' C ' HD23 ' C' ' 51' ' ' LEU . 9.6 tt -61.77 -42.78 99.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 CA--C 1.542 0.653 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.127 177.418 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.76 -35.46 72.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.24 -42.4 96.55 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.324 1.015 . . . . 0.0 109.527 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.88 -43.42 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.22 -45.28 93.77 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.114 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -63.24 -40.97 98.94 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.67 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.0 OUTLIER -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -62.87 -45.67 91.45 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.52 -41.78 99.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.774 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.0 m -64.82 -39.56 93.78 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.092 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.9 94.59 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.53 -42.83 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.82 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.6 ttp180 -59.83 -41.94 92.46 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.198 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -64.72 -45.2 87.55 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 123.81 0.694 . . . . 0.0 109.622 178.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -24.89 68.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.583 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p -66.24 -34.72 78.64 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.312 0.383 . . . . 0.0 110.824 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 50.3 mm -95.97 128.3 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 123.935 0.772 . . . . 0.0 109.608 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.06 164.27 12.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.121 0.888 . . . . 0.0 110.868 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.73 126.26 60.25 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.85 54.94 5.05 Favored 'Trans proline' 0 N--CA 1.509 2.416 0 C-N-CA 123.11 2.54 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.542 ' HB2' HD23 ' D' ' 28' ' ' LEU . 2.0 pt20 -159.96 68.07 0.38 Allowed 'General case' 0 C--O 1.247 0.971 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.919 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -72.37 -73.42 0.2 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.8 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.82 170.86 13.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.604 0.565 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.469 ' HA ' HD12 ' D' ' 28' ' ' LEU . 35.7 ptt-85 -63.86 -16.33 61.09 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.542 0.687 . . . . 0.0 110.616 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.94 -50.36 8.66 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 114.648 -1.16 . . . . 0.0 107.941 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.53 -35.35 80.2 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.947 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' D' ' 22' ' ' GLN . 8.3 mt -61.39 -43.57 98.64 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.21 -37.59 87.77 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 123.899 0.749 . . . . 0.0 111.132 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.63 -48.38 81.9 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.65 -41.32 98.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.507 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.19 -62.96 1.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.648 HG23 HD11 ' C' ' 37' ' ' LEU . 61.9 mt -62.63 -46.7 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.561 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -61.44 -41.36 97.07 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.85 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 38.2 t80 -58.71 -44.68 90.46 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.6 -51.05 66.97 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.911 0.757 . . . . 0.0 110.633 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' E' ' 33' ' ' ILE . 32.9 mt -58.62 -44.76 90.07 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.103 0.477 . . . . 0.0 110.328 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.05 -43.08 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.887 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 27.6 mt -61.08 -44.03 97.99 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.563 HG23 HD13 ' C' ' 44' ' ' LEU . 60.9 mt -67.21 -42.44 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.738 0.649 . . . . 0.0 109.812 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.0 m -55.94 -48.12 76.32 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.56 -40.4 96.88 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.765 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.08 -51.46 63.95 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' D' ' 47' ' ' ILE . 10.6 mt -50.68 -38.57 47.56 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.226 0.61 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.62 -43.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.38 -31.97 73.35 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.883 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.0 mt -63.12 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.567 HD11 HG12 ' E' ' 47' ' ' ILE . 28.4 mm -63.96 -42.1 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.09 -42.93 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.489 ' HG3' HD12 ' C' ' 48' ' ' ILE . 85.7 mmm -66.25 -37.25 85.04 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.906 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.42 HD23 ' C ' ' D' ' 51' ' ' LEU . 9.5 tt -62.08 -42.7 99.48 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.061 177.437 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.35 -35.42 71.9 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.103 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.13 -42.42 96.84 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.625 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.79 -43.48 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.37 -44.96 95.12 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.372 1.045 . . . . 0.0 109.088 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.51 -40.88 98.22 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.847 0.717 . . . . 0.0 109.718 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.471 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.1 tm? -61.46 -43.17 99.34 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -63.09 -45.35 92.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.68 -41.52 99.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.986 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.8 m -64.85 -39.39 93.49 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.211 0.944 . . . . 0.0 110.309 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.26 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.59 -42.93 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.638 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.471 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.4 ttp180 -59.72 -41.98 92.07 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.147 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.471 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -64.59 -45.09 88.43 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.716 0.635 . . . . 0.0 109.69 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.29 68.31 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.628 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 24.9 p -66.29 -34.63 78.42 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.329 0.393 . . . . 0.0 110.919 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -96.1 128.41 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 O-C-N 123.78 0.675 . . . . 0.0 109.541 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.86 164.26 12.41 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.815 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.83 125.99 60.94 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.463 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.56 55.42 5.16 Favored 'Trans proline' 0 N--CA 1.508 2.36 0 C-N-CA 123.192 2.595 . . . . 0.0 111.061 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.55 ' HB2' HD23 ' E' ' 28' ' ' LEU . 1.9 pt20 -160.87 67.25 0.32 Allowed 'General case' 0 C--O 1.246 0.906 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.959 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -71.42 -74.09 0.16 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.91 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.98 171.01 13.37 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.784 0.678 . . . . 0.0 111.356 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' E' ' 28' ' ' LEU . 36.1 ptt-85 -63.99 -15.88 60.33 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.739 0.65 . . . . 0.0 110.296 177.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -82.49 -50.68 8.58 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.18 -34.59 78.44 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.389 1.056 . . . . 0.0 109.333 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' E' ' 22' ' ' GLN . 8.0 mt -61.98 -43.17 99.39 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.74 -37.45 87.65 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 124.148 0.905 . . . . 0.0 111.184 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.39 -48.98 79.59 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -63.25 -41.14 99.03 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.408 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -71.44 -62.65 1.33 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -62.65 -46.59 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -60.99 -41.29 96.17 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.255 0.479 . . . . 0.0 110.636 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 37.6 t80 -59.86 -44.67 94.01 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -61.52 -53.96 49.55 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.134 0.896 . . . . 0.0 109.665 178.217 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 33' ' ' ILE . 18.7 mt -51.3 -74.18 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -35.04 -45.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 125.369 1.668 . . . . 0.0 110.904 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.544 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.9 mt -61.76 -47.11 86.64 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 120.651 0.262 . . . . 0.0 110.458 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.606 HG23 HD13 ' D' ' 44' ' ' LEU . 65.3 mt -65.25 -42.12 93.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.314 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 58.8 m -56.0 -47.21 78.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.62 -39.85 94.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.076 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.46 -51.24 64.05 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' E' ' 47' ' ' ILE . 11.5 mt -50.12 -38.05 37.08 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.469 0.481 . . . . 0.0 110.824 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.54 -31.92 73.23 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.879 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' E' ' 44' ' ' LEU . 88.4 mt -63.04 -41.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 50' ' ' MET . 29.3 mm -63.91 -42.03 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.29 -43.0 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.487 ' HG3' HD12 ' D' ' 48' ' ' ILE . 86.0 mmm -65.93 -37.45 86.08 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.944 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.403 HD23 ' C ' ' E' ' 51' ' ' LEU . 9.6 tt -61.73 -42.67 99.27 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.069 177.547 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.57 -38.35 80.92 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.2 -41.64 94.3 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 124.38 1.05 . . . . 0.0 109.501 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.4 -44.4 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.93 -41.41 97.64 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.04 0.837 . . . . 0.0 109.365 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.03 -40.43 95.68 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.173 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.83 -46.19 89.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.224 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.5 -41.93 99.15 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.029 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -64.6 -39.95 94.65 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.005 0.815 . . . . 0.0 110.133 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.14 94.88 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.19 -42.89 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.944 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -57.65 -41.38 81.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.047 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -67.41 -40.0 85.54 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.014 177.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.95 67.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.738 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -70.54 104.86 2.9 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 123.825 0.703 . . . . 0.0 109.237 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 133.85 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.36 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 2.2 mt-10 -82.27 50.94 1.7 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.605 0.717 . . . . 0.0 110.527 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.04 33.3 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.12 152.62 43.64 Favored 'Trans proline' 0 N--CA 1.516 2.818 0 C-N-CA 122.503 2.136 . . . . 0.0 112.15 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -54.66 -44.32 73.18 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.958 0.786 . . . . 0.0 110.845 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.87 -41.16 99.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.029 0.532 . . . . 0.0 110.314 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -70.61 -41.23 72.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.479 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -63.76 -43.61 95.93 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.952 0.882 . . . . 0.0 108.848 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -58.0 -43.72 86.79 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.01 -1.904 . . . . 0.0 107.787 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -62.87 -32.16 73.34 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.888 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.14 -63.23 1.25 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 117.639 0.2 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.426 HE22 HD12 ' E' ' 33' ' ' ILE . 1.6 tt0 -72.0 -27.53 62.8 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.54 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -57.04 -45.31 83.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.14 -44.78 91.12 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.106 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -62.36 -46.08 90.27 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.254 0.972 . . . . 0.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.18 -51.03 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.5 -45.04 94.84 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 34.6 t80 -58.93 -46.93 86.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.623 0.577 . . . . 0.0 110.854 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.0 OUTLIER -65.14 -37.65 88.09 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.377 0.423 . . . . 0.0 111.215 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.79 -43.45 68.68 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.064 0.853 . . . . 0.0 110.556 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.24 -42.99 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.761 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.1 mt -60.66 -44.68 96.15 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.587 ' CD1' HD13 ' E' ' 44' ' ' LEU . 2.2 mm -64.89 -42.23 94.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 123.232 0.613 . . . . 0.0 109.522 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.0 m -59.9 -51.29 70.33 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 122.598 0.359 . . . . 0.0 110.482 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.28 -41.45 98.49 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.33 1.019 . . . . 0.0 109.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD11 HD13 ' E' ' 48' ' ' ILE . 19.9 tp -64.01 -50.05 70.02 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.06 0.85 . . . . 0.0 108.737 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -50.08 -40.69 46.36 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.243 0.617 . . . . 0.0 110.075 177.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 49' ' ' VAL . 62.2 mt -63.45 -42.7 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.99 -38.41 90.98 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.665 HD11 HD11 ' E' ' 48' ' ' ILE . 82.4 mt -63.23 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.778 HG13 HD21 ' B' ' 43' ' ' LEU . 2.6 mm -62.99 -43.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.634 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 45' ' ' ILE . 50.5 t -61.88 -47.8 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 124.144 0.902 . . . . 0.0 110.488 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm -65.02 -50.04 67.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -52.6 -43.4 65.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.685 1.241 . . . . 0.0 109.49 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.555 1.167 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.868 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.19 -38.66 80.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.17 -41.08 95.0 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.778 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.54 -44.45 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.1 -41.35 97.31 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 124.028 0.83 . . . . 0.0 109.162 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.97 -40.54 95.95 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -61.77 -42.99 99.7 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.901 0.751 . . . . 0.0 109.058 178.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -62.65 -45.98 90.33 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.786 0.679 . . . . 0.0 109.341 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.75 -41.83 99.38 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.984 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -64.48 -39.85 94.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 110.08 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.0 94.76 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.642 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.886 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.457 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.5 ttp180 -57.62 -41.44 81.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.998 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.457 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -67.17 -40.01 86.55 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 177.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.88 67.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.867 0.73 . . . . 0.0 110.811 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.4 p -70.32 104.24 2.63 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.801 0.688 . . . . 0.0 109.285 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.21 133.39 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.397 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.445 ' HA ' ' HB1' ' B' ' 24' ' ' ALA . 2.5 mt-10 -82.18 51.52 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.599 0.714 . . . . 0.0 110.578 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -43.57 34.32 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 152.98 43.33 Favored 'Trans proline' 0 N--CA 1.515 2.769 0 C-N-CA 122.678 2.252 . . . . 0.0 112.132 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -55.24 -44.16 75.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.81 0.694 . . . . 0.0 110.721 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -62.57 -41.41 98.91 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.339 0.59 . . . . 0.0 110.239 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' B' ' 19' ' ' GLU . . . -70.27 -40.98 74.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -64.46 -42.47 95.91 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 121.861 0.839 . . . . 0.0 108.991 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.47 -44.16 89.19 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 113.711 -1.586 . . . . 0.0 107.553 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.47 -31.0 72.03 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.339 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.62 -62.54 1.66 Allowed 'General case' 0 C--N 1.363 1.165 0 O-C-N 123.247 0.342 . . . . 0.0 110.192 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.498 ' NE2' HD11 ' B' ' 33' ' ' ILE . 0.0 OUTLIER -72.57 -26.86 61.88 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -57.09 -46.24 82.71 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.97 -44.95 94.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.136 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' B' ' 29' ' ' GLN . 11.3 m-30 -62.46 -46.14 89.85 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.498 HD11 ' NE2' ' B' ' 29' ' ' GLN . 81.2 mt -59.93 -51.63 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.02 -44.74 96.08 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.64 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.3 t80 -59.65 -47.31 86.1 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 123.359 0.412 . . . . 0.0 111.256 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -63.55 -34.06 76.97 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.651 0.595 . . . . 0.0 111.631 179.342 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.5 -74.4 0.13 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -32.01 -44.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.549 0 O-C-N 125.737 1.898 . . . . 0.0 110.924 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' B' ' 35' ' ' PHE . 21.9 mt -60.39 -49.73 76.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.684 0.278 . . . . 0.0 110.409 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.464 HD11 ' SG ' ' A' ' 41' ' ' CYS . 96.1 mt -66.55 -41.02 87.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.389 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.6 m -55.39 -50.55 69.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 45' ' ' ILE . 55.1 mt -62.28 -39.75 93.98 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.2 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.778 HD21 HG13 ' A' ' 48' ' ' ILE . 30.5 tp -64.83 -47.87 76.45 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' B' ' 47' ' ' ILE . 1.6 mt -53.06 -38.55 62.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.032 0.533 . . . . 0.0 109.587 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.45 ' O ' HG23 ' B' ' 49' ' ' VAL . 66.5 mt -63.34 -42.69 97.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.12 -37.96 89.12 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' B' ' 44' ' ' LEU . 86.8 mt -63.53 -42.79 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.517 HD11 HG13 ' C' ' 47' ' ' ILE . 1.2 mm -63.03 -43.79 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.862 0.865 . . . . 0.0 109.73 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 45' ' ' ILE . 54.1 t -63.29 -47.17 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.239 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 95.7 mmm -72.27 -27.78 62.7 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.824 0.702 . . . . 0.0 111.429 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.5 tp -70.04 -43.1 71.96 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.3 mt . . . . . 0 CA--C 1.547 0.835 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.656 -179.754 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.28 -37.98 85.11 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.962 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.47 -41.69 93.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.856 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.17 -43.92 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 124.075 0.859 . . . . 0.0 108.744 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.87 -43.33 99.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.091 0.869 . . . . 0.0 109.304 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.43 -40.46 94.53 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 123.781 0.676 . . . . 0.0 109.264 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.407 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -43.18 99.36 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -63.02 -46.1 89.21 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.296 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.36 -41.96 99.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.278 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -64.58 -40.08 94.89 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.157 0.911 . . . . 0.0 110.087 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.29 94.75 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.03 -43.03 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.832 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.448 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -57.61 -41.33 81.07 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.448 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -67.39 -39.93 85.64 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.148 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.05 67.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.746 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -70.47 104.67 2.82 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 81.1 mt -128.3 133.64 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.31 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.475 ' HA ' ' HB1' ' C' ' 24' ' ' ALA . 2.3 mt-10 -82.27 51.54 1.83 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.693 0.759 . . . . 0.0 110.434 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -43.75 30.78 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.466 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.39 152.44 46.7 Favored 'Trans proline' 0 N--CA 1.516 2.849 0 C-N-CA 122.732 2.288 . . . . 0.0 111.945 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -54.88 -43.64 73.34 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.79 0.681 . . . . 0.0 110.832 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -63.32 -40.98 98.82 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.324 0.39 . . . . 0.0 109.976 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' C' ' 19' ' ' GLU . . . -70.42 -41.02 73.49 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.357 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -64.37 -42.38 96.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.958 0.885 . . . . 0.0 109.035 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.18 -43.73 92.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.612 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.91 -32.74 74.09 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.436 1.085 . . . . 0.0 111.98 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -55.6 -62.63 1.56 Allowed 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.364 0.415 . . . . 0.0 110.557 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.478 HE22 HD12 ' B' ' 33' ' ' ILE . 1.6 tt0 -72.8 -26.52 61.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -57.5 -45.8 84.5 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.7 -44.45 93.64 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 113.738 -1.574 . . . . 0.0 110.176 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' C' ' 29' ' ' GLN . 11.8 m-30 -62.43 -46.63 87.69 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.725 0.641 . . . . 0.0 112.722 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.452 HD12 HE22 ' D' ' 29' ' ' GLN . 80.0 mt -59.72 -51.14 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.93 -44.84 94.98 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.599 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 36.8 t80 -56.86 -47.31 80.71 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 123.647 0.592 . . . . 0.0 111.728 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.34 -50.61 70.94 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.66 0.6 . . . . 0.0 109.69 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.2 -44.23 95.3 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.18 -42.52 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 124.971 1.419 . . . . 0.0 109.687 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.5 mt -60.09 -45.4 93.06 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.537 HD11 ' SG ' ' B' ' 41' ' ' CYS . 44.6 mt -66.91 -40.46 85.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.428 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 74.1 m -56.42 -49.98 72.96 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.57 -41.45 98.93 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.62 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 44' ' ' LEU . 15.4 tp -70.68 -23.68 62.53 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.637 ' HB3' HD23 ' D' ' 43' ' ' LEU . 0.0 OUTLIER -73.85 -39.01 64.29 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.78 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.408 ' O ' HG23 ' C' ' 49' ' ' VAL . 68.6 mt -63.29 -41.59 93.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 77.9 m -62.24 -41.28 98.27 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.517 HG13 HD11 ' B' ' 48' ' ' ILE . 64.6 mt -63.59 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.588 HD11 HG13 ' D' ' 47' ' ' ILE . 1.1 mm -61.92 -44.64 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.444 0.698 . . . . 0.0 110.276 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.408 HG23 ' O ' ' C' ' 45' ' ' ILE . 54.6 t -63.34 -47.79 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 123.709 0.631 . . . . 0.0 110.427 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mmm -72.98 -26.91 61.52 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.717 0.635 . . . . 0.0 111.264 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -69.97 -42.12 73.57 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 CA--C 1.548 0.901 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.788 179.81 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.91 -38.24 81.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.25 -41.77 93.95 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.831 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.27 -44.82 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.31 -41.33 98.93 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 124.237 0.96 . . . . 0.0 109.338 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.18 -40.59 96.54 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.901 0.751 . . . . 0.0 109.021 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -61.85 -42.9 99.61 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -62.63 -46.05 90.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.244 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.74 -41.8 99.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.178 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.53 -40.05 94.88 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.119 0.887 . . . . 0.0 110.246 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.24 94.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.21 -42.83 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.879 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.455 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -57.69 -41.35 81.48 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.102 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.455 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -67.35 -39.96 85.8 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.15 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.37 -26.03 67.56 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.738 0.649 . . . . 0.0 110.813 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -70.56 104.61 2.84 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.812 0.695 . . . . 0.0 109.219 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.97 133.56 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.358 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' HB1' ' D' ' 24' ' ' ALA . 2.2 mt-10 -82.19 51.1 1.71 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 123.898 0.749 . . . . 0.0 110.46 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -43.85 34.28 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.405 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.97 152.84 41.29 Favored 'Trans proline' 0 N--CA 1.517 2.894 0 C-N-CA 122.387 2.058 . . . . 0.0 111.782 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.43 -43.53 75.44 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.859 0.724 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' D' ' 19' ' ' GLU . . . -70.68 -41.49 71.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.52 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -64.85 -42.04 95.2 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -58.92 -43.68 91.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.475 -1.693 . . . . 0.0 107.478 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.91 -32.87 74.24 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.195 0.934 . . . . 0.0 112.637 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -54.91 -63.59 1.1 Allowed 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.42 0.45 . . . . 0.0 110.368 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.452 HE22 HD12 ' C' ' 33' ' ' ILE . 1.6 tt0 -71.69 -27.15 62.84 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -57.19 -45.21 83.95 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.11 -44.67 91.54 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.885 -1.507 . . . . 0.0 110.322 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' D' ' 29' ' ' GLN . 10.7 m-30 -62.3 -45.8 91.63 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.434 HD12 HE22 ' E' ' 29' ' ' GLN . 78.9 mt -60.0 -51.21 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.1 -43.94 97.07 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.663 1.227 . . . . 0.0 110.986 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -56.96 -47.44 80.71 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.771 0.669 . . . . 0.0 111.96 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.32 -50.63 70.89 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.513 0.508 . . . . 0.0 109.833 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.65 -44.17 93.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.592 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.7 -42.42 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 124.64 1.213 . . . . 0.0 109.394 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 23.4 mt -60.27 -45.5 93.08 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' D' ' 44' ' ' LEU . 82.9 mt -67.54 -40.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 123.758 0.661 . . . . 0.0 110.457 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.3 m -54.28 -50.39 67.37 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.739 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -71.84 -25.12 61.84 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.454 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.455 HD13 HG23 ' E' ' 40' ' ' ILE . 1.5 mt -70.21 -40.53 74.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.439 ' O ' HG23 ' D' ' 49' ' ' VAL . 68.0 mt -63.02 -42.18 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.304 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.27 -40.74 97.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.87 0.731 . . . . 0.0 110.188 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.588 HG13 HD11 ' C' ' 48' ' ' ILE . 73.0 mt -62.68 -44.41 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.646 HD13 HD11 ' E' ' 43' ' ' LEU . 71.7 mt -65.1 -42.34 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 124.468 1.105 . . . . 0.0 112.081 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 45' ' ' ILE . 44.9 t -61.63 -46.65 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 96.0 mmm -73.73 -26.99 60.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.536 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -70.09 -42.63 72.46 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.554 1.112 0 CA-C-N 113.817 -1.538 . . . . 0.0 108.396 179.59 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.12 -38.14 82.13 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.08 -41.74 94.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.944 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.36 -44.66 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.37 -41.47 98.82 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.34 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.23 -40.31 95.73 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.867 0.729 . . . . 0.0 109.049 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.421 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -42.99 99.72 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.75 -46.03 89.94 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.373 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.73 -41.84 99.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.126 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -64.37 -40.12 95.21 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.95 0.781 . . . . 0.0 110.302 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.05 95.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.33 -42.81 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.74 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.6 ttp180 -57.76 -41.34 81.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.949 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -67.27 -39.99 86.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.161 177.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.01 67.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.8 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 25.8 p -70.56 104.77 2.89 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -127.86 133.69 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.343 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' GLU . . . . . 0.479 ' HA ' ' HB1' ' E' ' 24' ' ' ALA . 2.3 mt-10 -81.88 50.43 1.54 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.555 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -43.65 30.7 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.128 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.12 152.74 42.98 Favored 'Trans proline' 0 N--CA 1.519 3.008 0 C-N-CA 122.434 2.089 . . . . 0.0 111.737 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -54.97 -44.28 74.24 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.377 0.423 . . . . 0.0 110.688 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -63.08 -40.8 98.75 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.045 0.841 . . . . 0.0 110.119 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' E' ' 19' ' ' GLU . . . -70.65 -41.57 71.96 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.088 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -64.43 -42.51 95.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.941 0.876 . . . . 0.0 108.741 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -57.99 -44.09 86.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 113.498 -1.683 . . . . 0.0 107.396 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -62.57 -32.77 73.81 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.497 1.123 . . . . 0.0 112.875 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -54.76 -63.83 1.03 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.654 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.434 HE22 HD12 ' D' ' 33' ' ' ILE . 1.7 tt0 -72.01 -26.05 62.07 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -57.88 -45.2 86.75 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.17 -44.68 91.33 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.515 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.416 ' CD2' ' HA ' ' E' ' 29' ' ' GLN . 10.9 m-30 -62.49 -46.05 90.23 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.862 0.726 . . . . 0.0 112.837 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.426 HD12 HE22 ' A' ' 29' ' ' GLN . 75.9 mt -59.62 -51.28 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.84 -44.3 96.51 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.374 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 33.8 t80 -57.07 -47.14 81.71 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.689 0.618 . . . . 0.0 111.166 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -62.88 -50.39 71.08 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.157 0.503 . . . . 0.0 110.063 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -44.54 93.71 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.11 -43.43 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 125.112 1.507 . . . . 0.0 108.779 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.551 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.1 mt -59.94 -46.25 90.01 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' D' ' 41' ' ' CYS . 53.2 mt -65.95 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.18 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.8 m -58.17 -49.27 77.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.31 -40.92 97.91 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 124.514 1.134 . . . . 0.0 109.595 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.646 HD11 HD13 ' D' ' 48' ' ' ILE . 19.0 tp -64.82 -51.02 64.36 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' E' ' 47' ' ' ILE . 0.1 OUTLIER -49.01 -41.77 35.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.203 0.601 . . . . 0.0 109.942 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.485 ' O ' HG23 ' E' ' 49' ' ' VAL . 66.1 mt -63.14 -43.74 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.358 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.98 -38.53 91.4 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.287 0.367 . . . . 0.0 110.666 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.1 mt -62.17 -44.94 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.665 HD11 HD11 ' A' ' 47' ' ' ILE . 72.5 mt -66.11 -40.85 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.485 HG23 ' O ' ' E' ' 45' ' ' ILE . 40.8 t -60.67 -47.04 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 98.1 mmm -65.3 -49.99 67.38 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -52.59 -43.01 65.04 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.257 0.973 . . . . 0.0 109.537 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 CA--C 1.552 1.057 0 O-C-N 124.536 1.147 . . . . 0.0 108.081 178.788 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.13 -36.32 81.42 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.53 -42.68 95.59 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.342 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.93 -45.23 97.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 O-C-N 124.118 0.886 . . . . 0.0 108.874 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -60.52 -44.56 95.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 124.114 0.884 . . . . 0.0 109.555 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -62.69 -41.12 98.94 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.892 0.745 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.4 tm? -61.87 -43.16 99.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.869 0.731 . . . . 0.0 109.299 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.68 -46.74 86.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.289 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -61.97 -43.41 98.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.24 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -63.88 -40.81 97.4 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.989 0.806 . . . . 0.0 110.522 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.36 92.8 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.545 0.528 . . . . 0.0 109.777 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.88 -42.8 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.19 0.931 . . . . 0.0 109.073 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -58.67 -41.98 87.43 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.543 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -70.81 -39.91 72.81 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.921 0.763 . . . . 0.0 109.722 178.397 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.62 1.18 12.77 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.148 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -83.65 54.38 2.85 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.182 0.515 . . . . 0.0 111.111 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.632 ' H ' HD13 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -126.09 100.84 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -142.89 135.75 27.96 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.705 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -51.4 -52.96 54.7 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.48 -41.87 45.27 Favored 'Trans proline' 0 N--CA 1.512 2.579 0 C-N-CA 122.091 1.861 . . . . 0.0 112.169 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -67.84 -35.84 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.824 0.703 . . . . 0.0 110.434 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -71.16 -40.4 71.33 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.903 0.752 . . . . 0.0 109.58 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.88 32.02 2.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.607 0.763 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 27' ' ' ASN . 51.1 ttt180 -72.81 146.6 46.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.824 0.821 . . . . 0.0 110.652 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -56.52 -39.63 73.68 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.094 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' H ' ' HG2' ' A' ' 25' ' ' ARG . 2.9 t30 -68.59 -12.45 61.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.48 -1.236 . . . . 0.0 113.159 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.37 -26.11 67.62 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 118.857 0.753 . . . . 0.0 109.638 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -57.73 -35.59 70.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.165 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.02 -45.41 86.94 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.13 0.894 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.26 -45.71 93.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.39 -53.48 28.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.107 0.879 . . . . 0.0 112.566 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.74 -45.08 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 O-C-N 123.173 0.296 . . . . 0.0 110.824 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -63.43 -42.42 98.69 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.596 0.56 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -57.46 -47.71 81.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.34 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.1 t -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.864 0.728 . . . . 0.0 111.298 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HB3' ' SG ' ' B' ' 36' ' ' CYS . 44.4 mt -70.43 -43.2 70.42 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.379 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.62 -41.92 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.996 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 26.3 mt -61.55 -44.53 96.86 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 HD12 HD13 ' E' ' 44' ' ' LEU . 28.7 mm -65.75 -41.8 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.349 1.03 . . . . 0.0 109.25 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.4 m -60.84 -52.34 65.47 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.02 0.528 . . . . 0.0 110.346 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 45' ' ' ILE . 67.8 mt -60.36 -41.38 93.55 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 123.736 0.647 . . . . 0.0 109.923 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD21 HG13 ' E' ' 48' ' ' ILE . 32.5 tp -66.62 -47.36 72.87 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -52.49 -36.91 56.14 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 122.688 0.395 . . . . 0.0 110.477 178.574 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.4 mt -61.88 -43.24 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.7 -37.9 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 44' ' ' LEU . 90.7 mt -63.58 -43.24 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.85 HG13 HD21 ' B' ' 43' ' ' LEU . 5.6 mm -63.68 -44.43 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.598 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 45' ' ' ILE . 47.8 t -60.92 -45.43 98.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 123.961 0.788 . . . . 0.0 109.65 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.1 mmm -62.1 -51.64 67.1 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.29 -41.62 72.53 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 123.883 0.739 . . . . 0.0 110.294 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.544 0.75 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.112 178.295 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.03 80.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.55 -42.68 95.53 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.449 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 124.131 0.894 . . . . 0.0 108.879 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -61.95 -44.52 96.6 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.083 0.864 . . . . 0.0 109.437 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.87 -41.93 99.57 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.753 0.658 . . . . 0.0 109.466 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.7 -43.58 98.58 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.677 0.611 . . . . 0.0 109.545 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.54 -46.06 90.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.238 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.49 -43.25 99.26 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.101 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.63 -40.68 97.49 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.098 0.874 . . . . 0.0 110.529 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.43 92.44 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.831 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.82 -42.83 95.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.114 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -58.62 -41.84 86.85 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.634 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -71.05 -39.97 71.94 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.803 0.689 . . . . 0.0 109.739 178.444 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.14 12.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.166 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 54.49 2.93 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.229 0.538 . . . . 0.0 111.082 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.646 ' H ' HD13 ' B' ' 18' ' ' ILE . 0.1 OUTLIER -125.52 100.23 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -142.58 135.39 28.17 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.759 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 65.0 mtt -51.2 -52.89 54.64 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.535 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.73 -41.66 44.9 Favored 'Trans proline' 0 N--CA 1.511 2.541 0 C-N-CA 122.015 1.81 . . . . 0.0 112.189 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -67.73 -35.61 79.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.855 0.722 . . . . 0.0 110.411 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.68 -40.26 69.7 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 124.045 0.84 . . . . 0.0 109.656 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.92 33.07 2.43 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.453 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' H ' ' B' ' 27' ' ' ASN . 50.4 ttt180 -73.26 146.49 45.36 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -56.04 -39.17 71.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.427 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.464 ' H ' ' HG2' ' B' ' 25' ' ' ARG . 3.0 t30 -69.72 -12.71 61.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.94 -1.482 . . . . 0.0 113.369 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -60.78 -26.31 67.17 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 118.654 0.661 . . . . 0.0 109.535 178.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.97 -35.68 71.52 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.198 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.93 -45.49 86.5 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 124.058 0.849 . . . . 0.0 109.837 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.27 -45.26 95.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.59 -53.22 29.96 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.178 0.924 . . . . 0.0 112.809 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.61 -45.18 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 123.216 0.322 . . . . 0.0 110.916 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -62.69 -41.73 99.26 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 123.394 0.434 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' B' ' 39' ' ' LEU . 41.2 t80 -59.38 -47.65 84.63 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.394 0.433 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -65.6 -30.56 71.3 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.509 0.506 . . . . 0.0 111.686 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 40' ' ' ILE . 48.2 mt -72.16 -70.64 0.32 Allowed 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -32.89 -43.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.684 0 O-C-N 124.974 1.422 . . . . 0.0 110.449 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' B' ' 35' ' ' PHE . 25.4 mt -61.41 -48.75 79.76 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 41' ' ' CYS . 21.2 mm -63.52 -41.42 92.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 124.102 0.876 . . . . 0.0 108.658 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 61.0 m -61.16 -52.97 62.61 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.755 0.659 . . . . 0.0 109.949 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.4 mt -59.42 -40.0 85.29 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.104 0.878 . . . . 0.0 109.334 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.85 HD21 HG13 ' A' ' 48' ' ' ILE . 32.7 tp -66.09 -47.8 73.03 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' C' ' 40' ' ' ILE . 0.0 OUTLIER -54.11 -35.1 61.78 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 122.554 0.341 . . . . 0.0 110.509 179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' B' ' 42' ' ' LEU . 62.0 mt -63.47 -42.79 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -66.2 -37.51 85.75 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' B' ' 44' ' ' LEU . 90.9 mt -63.39 -42.1 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.807 HG13 HD21 ' C' ' 43' ' ' LEU . 4.6 mm -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.288 0.992 . . . . 0.0 110.073 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.46 -43.71 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.7 mmm -70.54 -28.56 65.02 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.251 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -41.06 68.94 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 114.297 -1.319 . . . . 0.0 110.152 178.535 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.13 -35.84 79.96 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.69 -42.65 95.18 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.266 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.31 -44.14 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.004 0.815 . . . . 0.0 108.876 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -61.35 -44.56 96.97 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 124.188 0.93 . . . . 0.0 109.367 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.26 -41.08 99.01 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 123.786 0.679 . . . . 0.0 109.497 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.474 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.5 tm? -62.17 -42.89 99.7 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.809 0.693 . . . . 0.0 109.565 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.82 -46.44 87.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -62.82 -42.34 99.68 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.201 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -62.93 -41.83 99.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.269 0.98 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.37 88.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.014 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.42 -42.74 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.465 HH21 HH22 ' C' ' 14' ' ' ARG . 48.6 ttp180 -58.55 -41.74 86.26 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.441 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.465 HH22 HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -71.32 -39.7 71.23 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.817 0.698 . . . . 0.0 109.893 178.309 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.39 0.9 13.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.103 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -84.1 54.63 3.01 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.239 0.542 . . . . 0.0 111.076 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.641 HD13 ' H ' ' C' ' 18' ' ' ILE . 0.1 OUTLIER -125.78 100.1 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.007 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mp0 -142.47 135.4 28.4 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.958 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.12 -52.76 55.52 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.687 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.52 -41.99 44.01 Favored 'Trans proline' 0 N--CA 1.513 2.672 0 C-N-CA 121.996 1.797 . . . . 0.0 112.348 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -67.39 -35.97 80.37 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.75 -40.78 69.11 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.461 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.2 32.56 2.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.461 ' HG2' ' H ' ' C' ' 27' ' ' ASN . 50.5 ttt180 -73.21 147.31 44.81 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 122.869 1.319 . . . . 0.0 110.736 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -57.18 -39.4 75.26 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.373 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.461 ' H ' ' HG2' ' C' ' 25' ' ' ARG . 3.0 t30 -68.79 -12.84 61.94 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.581 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' C' ' 28' ' ' LEU . 0.2 OUTLIER -60.86 -26.27 67.26 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 118.977 0.808 . . . . 0.0 109.433 178.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.36 -35.54 70.06 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.27 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.84 -46.03 85.36 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.866 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.08 -46.05 92.24 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.45 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.66 -53.06 37.92 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.81 -44.77 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 123.13 0.269 . . . . 0.0 110.809 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -64.14 -41.52 97.17 Favored 'General case' 0 C--O 1.203 -1.371 0 O-C-N 123.806 0.691 . . . . 0.0 110.483 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 41.0 t80 -56.84 -47.09 81.15 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.581 0.551 . . . . 0.0 111.382 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.55 -49.02 75.1 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.785 0.678 . . . . 0.0 109.663 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.61 -42.36 92.45 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.651 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -42.2 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 124.272 0.982 . . . . 0.0 108.947 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.1 mt -60.8 -44.49 96.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 31.8 mm -64.47 -42.69 96.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 O-C-N 124.263 0.977 . . . . 0.0 109.44 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.9 m -61.4 -51.92 66.74 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.457 0.473 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' C' ' 45' ' ' ILE . 65.9 mt -59.95 -41.25 91.48 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 124.068 0.855 . . . . 0.0 109.823 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.807 HD21 HG13 ' B' ' 48' ' ' ILE . 30.7 tp -66.29 -47.9 72.13 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 123.811 0.695 . . . . 0.0 109.232 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.589 HD13 HD12 ' D' ' 40' ' ' ILE . 0.1 OUTLIER -52.78 -39.3 62.17 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 123.258 0.349 . . . . 0.0 110.136 178.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' C' ' 42' ' ' LEU . 54.9 mt -60.73 -42.58 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 61.9 m -63.08 -40.45 97.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.58 -41.88 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.821 HG13 HD21 ' D' ' 43' ' ' LEU . 5.7 mm -62.47 -44.5 99.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 123.938 0.774 . . . . 0.0 109.132 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 45' ' ' ILE . 49.0 t -60.88 -45.02 98.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.54 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.3 mmm -62.03 -50.92 70.07 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.167 0.917 . . . . 0.0 109.336 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.04 -41.91 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.788 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.548 0.899 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.915 178.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.81 -35.88 79.51 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.6 -42.71 95.37 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.441 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.31 -44.04 97.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 124.057 0.848 . . . . 0.0 108.891 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.45 -44.72 96.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.318 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.99 -41.73 99.66 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 123.889 0.743 . . . . 0.0 109.644 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.86 -43.36 99.01 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.743 0.652 . . . . 0.0 109.505 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.71 -46.08 89.76 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.161 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.4 -43.4 98.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.09 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.7 -40.4 96.68 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.017 0.823 . . . . 0.0 110.631 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.34 92.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.763 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.83 -42.77 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.217 0.948 . . . . 0.0 109.152 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.476 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -58.67 -41.83 87.07 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.557 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.476 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.95 -39.94 72.29 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.728 0.642 . . . . 0.0 109.762 178.34 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 1.09 12.69 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.1 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 54.64 2.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.235 0.54 . . . . 0.0 110.967 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.647 ' H ' HD13 ' D' ' 18' ' ' ILE . 0.1 OUTLIER -125.79 100.3 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 121.869 0.842 . . . . 0.0 108.742 177.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -142.65 135.54 28.2 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.673 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.2 -52.88 54.76 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.564 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -60.75 -41.6 45.12 Favored 'Trans proline' 0 N--CA 1.51 2.485 0 C-N-CA 122.063 1.842 . . . . 0.0 112.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -68.01 -35.18 77.88 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.771 0.669 . . . . 0.0 110.464 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.1 -40.26 68.3 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 124.102 0.876 . . . . 0.0 109.641 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.29 33.99 2.29 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.974 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.468 ' HG2' ' H ' ' D' ' 27' ' ' ASN . 49.2 ttt180 -73.39 146.61 45.0 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.528 0.68 . . . . 0.0 110.674 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -57.06 -39.23 74.5 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.036 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.468 ' H ' ' HG2' ' D' ' 25' ' ' ARG . 3.1 t30 -69.08 -12.7 61.91 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 113.782 -1.554 . . . . 0.0 113.357 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 28' ' ' LEU . 0.2 OUTLIER -60.33 -26.56 66.67 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 119.032 0.833 . . . . 0.0 109.556 178.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -57.63 -35.24 70.23 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.187 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.03 -45.7 86.54 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 124.196 0.935 . . . . 0.0 109.845 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.44 -46.16 91.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.64 -52.86 40.34 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.931 0.769 . . . . 0.0 112.921 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.78 -45.02 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 123.08 0.238 . . . . 0.0 110.769 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.04 -41.28 97.45 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.48 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 42.5 t80 -56.86 -47.45 80.36 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.976 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -62.79 -48.93 76.99 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.6 0.563 . . . . 0.0 109.988 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.26 -42.6 95.72 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.995 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.76 -42.17 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -61.26 -45.24 95.3 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' C' ' 41' ' ' CYS . 34.6 mm -63.94 -41.7 93.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 124.301 1.001 . . . . 0.0 110.202 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 78.6 m -61.68 -51.27 69.12 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.616 0.572 . . . . 0.0 110.304 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.8 mt -60.36 -41.28 93.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.812 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.821 HD21 HG13 ' C' ' 48' ' ' ILE . 34.4 tp -65.94 -47.99 72.87 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 47' ' ' ILE . 0.1 OUTLIER -52.76 -37.52 59.63 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.472 0.483 . . . . 0.0 110.066 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 42' ' ' LEU . 53.9 mt -62.03 -42.91 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.74 -37.96 87.83 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.9 mt -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.843 HG13 HD21 ' E' ' 43' ' ' LEU . 5.8 mm -63.62 -44.13 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.74 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 45' ' ' ILE . 48.5 t -61.07 -45.33 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 124.163 0.915 . . . . 0.0 109.396 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -62.17 -51.45 67.77 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.06 -41.88 72.03 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.431 0.692 . . . . 0.0 110.659 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.222 178.153 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -36.07 80.29 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.44 -42.8 95.78 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.455 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.19 -44.13 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 124.07 0.856 . . . . 0.0 108.927 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -61.58 -44.61 96.69 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.378 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -63.04 -41.7 99.57 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.813 0.696 . . . . 0.0 109.529 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.467 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.5 tm? -61.82 -43.27 99.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.915 0.759 . . . . 0.0 109.559 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -62.93 -45.94 90.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.835 0.709 . . . . 0.0 109.252 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.57 -43.24 99.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.71 -40.41 96.7 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.028 0.83 . . . . 0.0 110.624 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.34 91.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.765 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.71 -42.91 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 124.192 0.932 . . . . 0.0 109.165 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.2 ttp180 -58.54 -41.97 86.76 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.652 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -71.0 -39.98 72.09 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.727 0.642 . . . . 0.0 109.635 178.511 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.44 1.26 12.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.223 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -84.09 54.55 2.98 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.283 0.563 . . . . 0.0 111.036 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.64 HD13 ' H ' ' E' ' 18' ' ' ILE . 0.1 OUTLIER -125.8 100.15 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.942 0.877 . . . . 0.0 108.741 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -142.5 135.67 28.6 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.77 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.37 -53.05 53.67 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.421 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -60.54 -41.54 47.38 Favored 'Trans proline' 0 N--CA 1.506 2.255 0 C-N-CA 122.053 1.836 . . . . 0.0 112.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -67.54 -36.04 80.22 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.792 0.683 . . . . 0.0 110.323 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.55 -40.46 70.0 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.393 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.05 33.15 2.45 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 124.11 0.881 . . . . 0.0 110.05 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' H ' ' E' ' 27' ' ' ASN . 51.2 ttt180 -72.93 147.06 45.62 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 122.266 1.031 . . . . 0.0 110.825 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -56.53 -39.53 73.53 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.336 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.464 ' H ' ' HG2' ' E' ' 25' ' ' ARG . 3.0 t30 -69.56 -11.77 61.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.635 -1.166 . . . . 0.0 113.629 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' E' ' 28' ' ' LEU . 0.2 OUTLIER -60.73 -26.38 67.14 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 118.938 0.79 . . . . 0.0 109.713 178.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -56.99 -36.07 69.94 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.596 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.23 -45.51 87.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 124.516 1.135 . . . . 0.0 109.646 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.61 -45.65 93.17 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.464 0.478 . . . . 0.0 111.207 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.407 ' CZ ' HD12 ' E' ' 28' ' ' LEU . 5.9 m-85 -67.78 -53.17 29.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.19 -45.05 97.43 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.883 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.71 -41.6 98.07 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 124.409 1.068 . . . . 0.0 110.43 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 43.1 t80 -56.88 -46.62 81.76 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.591 0.557 . . . . 0.0 111.072 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.64 -49.73 72.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.5 -43.82 89.19 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.407 1.067 . . . . 0.0 110.317 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.69 -43.2 94.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.639 0.775 . . . . 0.0 109.307 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 27.1 mt -60.13 -45.36 93.29 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.608 HD12 HD13 ' D' ' 44' ' ' LEU . 34.2 mm -64.29 -42.53 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.194 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.5 m -61.26 -51.76 67.58 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.291 0.369 . . . . 0.0 110.465 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' E' ' 45' ' ' ILE . 70.4 mt -59.5 -42.25 91.76 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.538 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.843 HD21 HG13 ' D' ' 48' ' ' ILE . 31.2 tp -65.78 -48.08 72.98 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.644 HD13 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -52.37 -35.6 51.8 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.596 0.359 . . . . 0.0 110.839 178.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.9 mt -63.5 -42.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -65.9 -38.64 89.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' E' ' 44' ' ' LEU . 91.0 mt -63.26 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.824 HG13 HD21 ' A' ' 43' ' ' LEU . 4.1 mm -63.62 -45.19 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.32 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.445 HG23 ' O ' ' E' ' 45' ' ' ILE . 46.7 t -60.81 -45.3 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.087 0.867 . . . . 0.0 109.554 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 79.8 mmm -62.03 -51.22 68.87 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.48 -41.41 72.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.514 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.127 178.24 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mtt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.18 -36.04 76.73 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.6 -42.56 95.47 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.538 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.44 -43.88 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 124.003 0.814 . . . . 0.0 108.99 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -60.59 -45.25 94.68 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.396 1.06 . . . . 0.0 109.079 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -63.49 -40.79 98.01 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.456 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.6 tm? -61.63 -42.99 99.67 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.707 0.629 . . . . 0.0 109.492 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.53 -46.11 89.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.5 -42.69 99.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.029 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -64.33 -40.24 95.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.611 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.2 94.47 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.509 0.505 . . . . 0.0 109.667 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.76 -42.4 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.998 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.5 ttp180 -60.49 -43.34 97.1 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.605 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -65.71 -43.78 88.1 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.824 179.053 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.79 89.94 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.02 0.825 . . . . 0.0 109.771 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.5 p -64.08 -50.48 68.17 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.304 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 tt -161.56 133.07 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.372 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.82 138.58 56.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.499 ' H ' ' HD2' ' A' ' 21' ' ' PRO . 4.6 mtm -150.17 -58.17 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 124.05 0.844 . . . . 0.0 110.536 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' H ' ' A' ' 20' ' ' MET . 55.7 Cg_endo -83.03 -178.32 3.78 Favored 'Trans proline' 0 N--CA 1.514 2.701 0 C-N-CA 122.89 2.394 . . . . 0.0 113.441 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -67.44 -44.3 79.05 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -135.79 -54.29 0.77 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.479 1.112 . . . . 0.0 108.473 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 27' ' ' ASN . . . -147.26 153.17 39.45 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.883 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' B' ' 26' ' ' GLN . 16.9 mtp85 -79.12 77.12 5.62 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.594 1.188 . . . . 0.0 111.529 -177.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' NE2' HE22 ' B' ' 26' ' ' GLN . 82.8 mt-30 46.97 43.82 14.1 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 112.17 -2.286 . . . . 0.0 109.819 -176.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 6.1 t30 -61.56 -13.82 24.76 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.289 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.51 -49.29 78.15 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' HG2' HD12 ' A' ' 33' ' ' ILE . 12.7 tt0 -64.24 -39.37 93.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.621 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.9 -43.8 94.63 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.7 0.625 . . . . 0.0 109.615 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.95 -43.8 98.09 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.2 -55.05 10.3 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.416 HD12 ' HG2' ' A' ' 29' ' ' GLN . 71.1 mt -63.77 -47.88 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.923 0.765 . . . . 0.0 112.038 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.404 HD22 ' HB2' ' B' ' 32' ' ' PHE . 84.6 m-20 -62.42 -41.92 99.06 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.301 0.375 . . . . 0.0 111.065 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CE2' HD11 ' A' ' 39' ' ' LEU . 34.3 t80 -58.77 -46.28 87.86 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.621 0.576 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -66.62 -35.11 79.39 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.892 0.745 . . . . 0.0 111.428 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.42 -44.3 68.19 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.65 0.738 . . . . 0.0 109.659 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.45 -41.66 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.196 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 35' ' ' PHE . 25.7 mt -62.11 -44.54 96.44 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' E' ' 41' ' ' CYS . 15.5 mm -63.25 -43.82 98.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' B' ' 40' ' ' ILE . 73.2 m -56.51 -45.74 80.9 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.737 0.303 . . . . 0.0 110.4 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.09 -35.23 80.47 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.825 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.9 tp -74.54 -30.07 61.62 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.377 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 47' ' ' ILE . 5.4 mp -65.95 -39.09 90.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.58 -43.04 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.0 -37.59 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.755 0.659 . . . . 0.0 109.563 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' LEU . 52.3 mt -63.19 -41.91 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' B' ' 50' ' ' MET . 27.0 mm -64.18 -42.43 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -43.16 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.559 ' HG3' HD12 ' E' ' 48' ' ' ILE . 87.5 mmm -66.78 -36.75 83.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.058 178.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 51' ' ' LEU . 9.8 tt -61.64 -42.63 99.16 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.93 177.46 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.77 -36.39 74.32 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.843 0.354 . . . . 0.0 110.087 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.69 -42.81 95.06 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.622 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.72 -43.59 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 124.057 0.848 . . . . 0.0 109.205 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -60.97 -45.32 95.23 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.375 1.047 . . . . 0.0 109.099 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.56 -40.66 97.57 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 123.741 0.65 . . . . 0.0 109.35 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.56 -43.29 99.13 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.743 0.652 . . . . 0.0 109.405 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.44 -46.11 90.02 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.53 -42.64 99.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.969 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.0 m -64.3 -40.23 95.51 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.673 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.14 94.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.755 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.62 -42.69 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.868 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.5 ttp180 -60.4 -43.29 96.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.68 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -65.88 -43.66 87.66 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.961 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.34 91.34 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.122 0.889 . . . . 0.0 109.828 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -64.54 -50.69 66.35 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 tt -161.85 133.28 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.357 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.43 139.67 57.11 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.52 ' H ' ' HD2' ' B' ' 21' ' ' PRO . 8.8 mtm -152.01 -58.1 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 O-C-N 124.182 0.926 . . . . 0.0 110.351 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.52 ' HD2' ' H ' ' B' ' 20' ' ' MET . 73.5 Cg_endo -80.98 -178.12 4.18 Favored 'Trans proline' 0 N--CA 1.513 2.657 0 C-N-CA 122.43 2.086 . . . . 0.0 113.576 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -45.06 84.35 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -139.88 -50.14 0.48 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.0 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.588 ' HB1' ' HB2' ' B' ' 27' ' ' ASN . . . -148.04 152.24 37.08 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' C' ' 26' ' ' GLN . 15.2 mtp85 -78.89 76.22 5.38 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.066 0.936 . . . . 0.0 111.775 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.425 HE22 ' NE2' ' A' ' 26' ' ' GLN . 81.8 mt-30 46.96 44.07 14.33 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 112.613 -2.085 . . . . 0.0 109.509 -177.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.588 ' HB2' ' HB1' ' B' ' 24' ' ' ALA . 5.6 t30 -61.05 -14.37 23.18 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.086 -1.415 . . . . 0.0 113.417 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.8 -49.83 75.91 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.438 ' HG2' HD12 ' B' ' 33' ' ' ILE . 12.7 tt0 -64.29 -39.28 93.6 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.571 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.68 -44.22 93.71 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 123.99 0.806 . . . . 0.0 109.677 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.907 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.404 ' HB2' HD22 ' A' ' 34' ' ' ASN . 4.7 m-85 -70.79 -55.71 7.96 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.935 0.772 . . . . 0.0 112.68 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.438 HD12 ' HG2' ' B' ' 29' ' ' GLN . 73.6 mt -64.33 -45.86 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.62 -42.79 99.79 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.447 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.0 t80 -60.81 -46.09 91.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.753 0.658 . . . . 0.0 110.109 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 98.3 m -62.47 -31.54 72.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.765 0.666 . . . . 0.0 111.717 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' ILE . 52.4 mt -76.59 -68.14 0.63 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.44 -42.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 124.217 0.948 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.8 mt -61.37 -48.49 81.03 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 123.362 0.413 . . . . 0.0 110.372 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' B' ' 37' ' ' LEU . 17.6 mm -61.96 -42.72 95.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.284 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 51.8 m -55.34 -46.37 76.37 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.36 -33.66 75.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.965 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.77 -30.74 62.95 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' B' ' 47' ' ' ILE . 5.6 mp -65.38 -38.6 90.51 Favored 'General case' 0 C--N 1.367 1.35 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.82 -42.67 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -64.28 -37.25 86.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 123.898 0.749 . . . . 0.0 109.689 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 44' ' ' LEU . 55.4 mt -63.36 -42.0 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.548 HD12 ' HG3' ' C' ' 50' ' ' MET . 26.6 mm -64.26 -42.1 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.68 -43.19 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.519 ' HG3' HD12 ' A' ' 48' ' ' ILE . 87.3 mmm -66.48 -37.21 84.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.113 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.403 HD23 ' C ' ' B' ' 51' ' ' LEU . 9.8 tt -61.56 -42.55 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 CA--C 1.543 0.696 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.933 177.256 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -58.91 -36.48 74.78 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.56 -42.71 95.49 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.87 -43.52 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 123.857 0.723 . . . . 0.0 109.059 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -61.12 -44.97 96.52 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.423 1.077 . . . . 0.0 108.857 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.74 -40.1 95.89 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.423 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.482 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.6 tm? -62.32 -42.22 99.19 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 123.615 0.572 . . . . 0.0 109.482 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -62.58 -46.72 87.05 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.113 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -63.12 -41.92 99.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.322 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.1 90.61 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.015 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.19 -42.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.992 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.454 ' HE ' HH22 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.63 -43.13 97.87 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.485 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.454 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER -65.57 -43.64 89.19 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.976 0.797 . . . . 0.0 110.015 178.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.91 90.08 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.112 0.883 . . . . 0.0 109.683 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -63.91 -50.78 67.39 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 tt -161.73 133.88 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.414 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 139.01 56.79 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.327 0.392 . . . . 0.0 110.055 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.507 ' H ' ' HD2' ' C' ' 21' ' ' PRO . 8.0 mtm -151.25 -58.33 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 124.19 0.931 . . . . 0.0 110.379 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' C' ' 20' ' ' MET . 63.7 Cg_endo -82.01 -179.78 5.02 Favored 'Trans proline' 0 N--CA 1.514 2.691 0 C-N-CA 122.674 2.249 . . . . 0.0 113.374 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -66.8 -44.4 81.34 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -137.5 -50.31 0.61 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.22 0.95 . . . . 0.0 109.262 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' C' ' 27' ' ' ASN . . . -148.63 153.13 37.88 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.901 0.751 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' D' ' 26' ' ' GLN . 15.8 mtp85 -80.83 76.84 7.74 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 123.008 1.385 . . . . 0.0 111.799 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.431 ' HA ' ' HE ' ' B' ' 25' ' ' ARG . 26.5 mt-30 47.23 43.18 14.48 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 111.976 -2.375 . . . . 0.0 109.167 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.607 ' HB2' ' HB1' ' C' ' 24' ' ' ALA . 5.8 t30 -61.47 -14.68 30.82 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.888 -1.505 . . . . 0.0 112.92 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -49.13 78.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.443 ' HG2' HD12 ' C' ' 33' ' ' ILE . 13.1 tt0 -64.92 -39.07 92.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.876 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.58 -44.34 93.35 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.553 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.32 -43.85 98.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.031 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.53 -55.24 9.36 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.713 0.633 . . . . 0.0 112.694 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.443 HD12 ' HG2' ' C' ' 29' ' ' GLN . 73.9 mt -63.66 -47.14 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.918 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.42 -41.64 98.85 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.676 0.61 . . . . 0.0 110.474 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.536 ' CE2' HD11 ' C' ' 39' ' ' LEU . 33.2 t80 -59.77 -47.0 87.42 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.395 0.435 . . . . 0.0 110.743 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -64.79 -32.66 74.45 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.602 0.564 . . . . 0.0 111.624 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.8 mt -70.5 -70.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 68.2 mt -34.81 -42.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 124.811 1.32 . . . . 0.0 110.221 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' C' ' 35' ' ' PHE . 24.9 mt -62.47 -48.52 79.26 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 177.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' B' ' 41' ' ' CYS . 10.2 mm -61.29 -43.2 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 123.919 0.762 . . . . 0.0 109.035 177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 58.0 m -56.16 -46.0 79.48 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.34 -33.37 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.946 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.48 -29.86 61.61 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.575 0.547 . . . . 0.0 111.429 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.3 mp -65.83 -38.49 89.05 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.85 -43.03 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.13 -37.45 87.48 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.65 0.594 . . . . 0.0 109.693 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' C' ' 44' ' ' LEU . 53.4 mt -63.1 -41.86 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' D' ' 50' ' ' MET . 25.9 mm -64.34 -42.01 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.74 -43.01 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.548 ' HG3' HD12 ' B' ' 48' ' ' ILE . 87.5 mmm -66.65 -37.0 83.91 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.965 178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.404 ' C ' HD23 ' C' ' 51' ' ' LEU . 9.8 tt -61.71 -42.48 99.0 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.054 177.216 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.61 -36.58 74.25 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.197 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.54 -42.89 95.45 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 124.174 0.922 . . . . 0.0 109.573 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.69 -43.88 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 124.113 0.883 . . . . 0.0 109.057 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.65 -45.44 94.07 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.113 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.66 -40.54 97.11 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.845 0.715 . . . . 0.0 109.497 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.79 -43.12 99.48 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.47 -46.13 89.92 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.41 -42.79 99.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.047 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 68.5 m -64.38 -40.23 95.41 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.092 0.87 . . . . 0.0 110.533 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.25 94.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.75 -42.44 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.902 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.5 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.47 -43.26 97.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.578 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.5 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -65.84 -43.57 88.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.949 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.91 89.87 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.765 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 51.1 p -64.03 -50.78 67.11 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.395 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 tt -161.58 133.96 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 123.989 0.806 . . . . 0.0 109.54 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 138.71 56.44 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.412 0.445 . . . . 0.0 109.976 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.498 ' H ' ' HD2' ' D' ' 21' ' ' PRO . 9.0 mtm -151.1 -58.34 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 124.143 0.902 . . . . 0.0 110.374 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.498 ' HD2' ' H ' ' D' ' 20' ' ' MET . 62.9 Cg_endo -82.0 179.46 5.58 Favored 'Trans proline' 0 N--CA 1.513 2.665 0 C-N-CA 122.598 2.199 . . . . 0.0 113.426 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -66.78 -43.22 84.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -137.8 -51.53 0.62 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.077 0.86 . . . . 0.0 109.164 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' D' ' 27' ' ' ASN . . . -148.83 153.62 38.35 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' E' ' 26' ' ' GLN . 15.7 mtp85 -80.34 77.51 7.1 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 122.306 1.051 . . . . 0.0 111.955 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.459 ' HA ' ' HE ' ' C' ' 25' ' ' ARG . 85.8 mt-30 47.28 42.8 14.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 112.262 -2.245 . . . . 0.0 108.732 -177.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.605 ' HB2' ' HB1' ' D' ' 24' ' ' ALA . 5.9 t30 -61.25 -14.5 26.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.979 -1.464 . . . . 0.0 113.532 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' D' ' 33' ' ' ILE . 13.0 tt0 -65.82 -38.54 89.19 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.491 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.85 -44.38 94.15 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 123.743 0.652 . . . . 0.0 109.485 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.53 -43.99 97.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.13 -54.86 11.12 Favored 'General case' 0 C--O 1.245 0.858 0 O-C-N 123.85 0.719 . . . . 0.0 112.364 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' D' ' 29' ' ' GLN . 71.9 mt -63.72 -47.5 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 123.169 0.293 . . . . 0.0 111.764 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.36 -41.29 98.83 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.252 0.345 . . . . 0.0 110.598 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.7 t80 -57.43 -46.38 83.63 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.084 0.24 . . . . 0.0 111.042 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.77 -50.39 71.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.524 0.515 . . . . 0.0 109.722 179.31 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -58.8 -44.01 90.68 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.914 0.864 . . . . 0.0 110.532 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.24 -42.81 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.51 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -60.61 -44.56 96.14 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.74 -44.4 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.6 m -57.09 -44.89 83.58 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.641 0.588 . . . . 0.0 110.09 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.81 -35.35 80.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.193 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' D' ' 43' ' ' LEU . 8.8 tp -74.41 -29.75 61.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.412 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.56 HD23 HD11 ' E' ' 47' ' ' ILE . 5.7 mp -66.19 -38.57 88.34 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.02 -42.96 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -64.01 -37.44 87.44 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.742 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 44' ' ' LEU . 51.8 mt -63.05 -41.89 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.533 HD12 ' HG3' ' E' ' 50' ' ' MET . 26.1 mm -64.3 -42.27 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.519 0.512 . . . . 0.0 109.669 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.46 -43.21 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.563 ' HG3' HD12 ' C' ' 48' ' ' ILE . 87.5 mmm -66.6 -36.89 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.088 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.54 -42.75 99.29 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.144 177.298 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.24 -36.47 73.25 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.5 -42.78 95.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.825 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.77 -43.79 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 124.042 0.839 . . . . 0.0 109.137 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.61 -45.35 94.36 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.482 1.114 . . . . 0.0 109.114 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.85 -40.33 96.31 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.352 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.479 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.7 tm? -61.78 -43.14 99.43 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.77 -46.18 89.21 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.993 0.808 . . . . 0.0 108.981 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.24 -42.75 99.6 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.088 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -40.4 95.94 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.553 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.05 94.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.556 0.535 . . . . 0.0 109.749 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.7 -42.47 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.887 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.489 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.5 ttp180 -60.63 -43.13 97.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.612 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.489 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -65.92 -43.61 87.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.948 0.78 . . . . 0.0 109.902 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.2 91.3 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 124.101 0.875 . . . . 0.0 109.687 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -64.15 -50.49 67.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.211 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 14.8 tt -161.91 132.89 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.704 0 O-C-N 124.04 0.837 . . . . 0.0 109.261 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 138.95 57.38 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.51 ' H ' ' HD2' ' E' ' 21' ' ' PRO . 8.5 mtm -150.29 -58.45 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 O-C-N 124.067 0.855 . . . . 0.0 110.215 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.51 ' HD2' ' H ' ' E' ' 20' ' ' MET . 61.6 Cg_endo -82.43 -179.0 4.31 Favored 'Trans proline' 0 N--CA 1.515 2.757 0 C-N-CA 122.72 2.28 . . . . 0.0 113.498 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -66.68 -44.18 82.45 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.24 -52.21 0.66 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 124.257 0.973 . . . . 0.0 108.986 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' E' ' 27' ' ' ASN . . . -147.62 152.98 38.79 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.702 0.626 . . . . 0.0 110.966 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -79.35 76.29 5.92 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 122.78 1.276 . . . . 0.0 111.714 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.437 ' HA ' ' HE ' ' D' ' 25' ' ' ARG . 27.3 mt-30 47.05 43.84 14.43 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.032 -2.349 . . . . 0.0 109.379 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.587 ' HB2' ' HB1' ' E' ' 24' ' ' ALA . 6.1 t30 -61.1 -14.65 25.72 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 113.939 -1.482 . . . . 0.0 113.066 -177.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.73 -48.66 80.8 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.422 ' HG2' HD12 ' E' ' 33' ' ' ILE . 12.8 tt0 -65.33 -39.08 91.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.724 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.88 -44.22 94.3 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.921 0.763 . . . . 0.0 109.48 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.24 -44.0 97.97 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.006 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.89 -54.61 12.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.422 HD12 ' HG2' ' E' ' 29' ' ' GLN . 73.0 mt -64.56 -46.79 91.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 123.57 0.544 . . . . 0.0 111.946 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.38 -41.53 98.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.661 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.0 t80 -57.58 -46.14 84.35 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.505 0.503 . . . . 0.0 110.711 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.8 OUTLIER -63.55 -49.11 74.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.776 0.673 . . . . 0.0 109.806 179.243 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.52 -43.31 93.47 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.062 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.7 mt -61.22 -42.65 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 O-C-N 124.395 1.059 . . . . 0.0 108.185 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 29.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mm -63.97 -43.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.3 m -57.49 -45.52 84.78 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.46 -38.0 89.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.32 -51.28 61.66 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.65 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.3 mp -50.33 -38.16 40.51 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.871 0.305 . . . . 0.0 110.438 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.22 -44.14 99.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -65.93 -34.56 78.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.612 0.57 . . . . 0.0 110.071 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.5 mt -63.47 -41.82 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.559 HD12 ' HG3' ' A' ' 50' ' ' MET . 25.4 mm -64.13 -41.8 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.7 -42.74 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.533 ' HG3' HD12 ' D' ' 48' ' ' ILE . 87.3 mmm -66.23 -37.31 85.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.906 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.409 HD23 ' C ' ' E' ' 51' ' ' LEU . 9.7 tt -61.62 -42.72 99.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.811 177.571 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.07 -36.32 81.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.53 -42.25 95.86 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.427 178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.53 -45.31 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -60.79 -44.67 96.52 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.028 0.83 . . . . 0.0 109.79 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.4 -40.44 96.52 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 124.043 0.839 . . . . 0.0 109.183 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -62.05 -43.11 99.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.831 0.707 . . . . 0.0 109.167 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -62.82 -46.05 89.77 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.198 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.38 -42.12 99.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.972 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -64.69 -40.3 95.15 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.148 0.905 . . . . 0.0 110.366 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.58 95.45 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.704 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.37 -42.26 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.021 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -59.73 -43.73 94.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.306 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -65.7 -43.29 89.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 57.77 4.51 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.304 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -54.6 -21.6 10.89 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.48 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.9 tt -61.48 134.59 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.671 0.607 . . . . 0.0 110.116 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -142.12 159.42 42.26 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.831 0.707 . . . . 0.0 111.162 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -179.73 0.77 Allowed Pre-proline 0 CA--C 1.558 1.268 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.159 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HB3' HE22 ' A' ' 23' ' ' GLN . 32.9 Cg_exo -55.22 122.72 12.22 Favored 'Trans proline' 0 N--CA 1.507 2.281 0 C-N-CA 121.68 1.587 . . . . 0.0 110.144 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -60.75 -43.91 97.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -74.45 170.21 16.14 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -94.99 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HG2' ' H ' ' A' ' 26' ' ' GLN . 16.8 ttp85 70.87 179.89 0.24 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.683 0.754 . . . . 0.0 110.753 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' H ' ' HG2' ' A' ' 25' ' ' ARG . 9.9 mt-30 -55.11 -48.41 73.66 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.792 -176.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -57.6 -51.84 67.85 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.51 -47.14 79.98 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 123.328 0.392 . . . . 0.0 110.2 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -58.38 -44.89 89.07 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.376 0.423 . . . . 0.0 110.106 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.77 -41.04 98.04 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.1 -33.79 76.21 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.57 -27.83 68.72 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.747 HG23 ' CD1' ' E' ' 37' ' ' LEU . 87.6 mt -63.57 -43.43 98.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.96 -42.22 93.6 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.111 0.882 . . . . 0.0 109.621 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -59.63 -44.38 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.3 t -68.82 -35.75 77.36 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.352 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' B' ' 33' ' ' ILE . 17.5 mt -67.82 -43.67 79.08 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 122.452 1.12 . . . . 0.0 109.654 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -61.32 -42.66 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 112.988 -1.914 . . . . 0.0 109.103 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.39 -44.29 96.79 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.162 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 HD13 ' E' ' 44' ' ' LEU . 1.4 mm -63.87 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.9 m -56.45 -48.94 75.99 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 45' ' ' ILE . 56.0 mt -62.6 -39.31 93.37 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.569 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.2 tp -75.36 -26.36 58.46 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.712 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 40' ' ' ILE . 3.1 mt -72.25 -34.69 68.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.8 mt -62.02 -41.07 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.0 m -62.32 -40.83 97.61 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG13 HD11 ' E' ' 48' ' ' ILE . 96.9 mt -64.43 -43.35 96.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.534 HD11 HG13 ' B' ' 47' ' ' ILE . 1.7 mm -62.35 -44.44 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.142 0.901 . . . . 0.0 110.186 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 45' ' ' ILE . 45.9 t -62.25 -45.64 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 124.007 0.817 . . . . 0.0 109.256 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mmm -62.54 -53.16 58.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 tp -54.04 -38.87 65.65 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.802 0.841 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.05 177.592 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.55 -36.23 81.97 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.61 -42.02 95.8 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.468 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.53 -44.06 97.73 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.953 0.783 . . . . 0.0 109.692 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.47 -40.21 95.91 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.827 0.704 . . . . 0.0 109.304 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.8 OUTLIER -62.15 -43.28 99.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -62.54 -46.38 88.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.23 -42.64 99.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.07 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -64.08 -40.77 96.98 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.044 0.84 . . . . 0.0 110.417 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.42 94.48 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.51 -42.58 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.062 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.481 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.6 ttp180 -60.11 -43.37 95.64 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.698 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.481 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -66.19 -43.29 87.23 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.87 88.94 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.975 0.797 . . . . 0.0 110.439 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SEP . . . . . 0.426 ' OG ' HG22 ' B' ' 18' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -63.46 -22.19 66.74 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.137 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.426 HG22 ' OG ' ' B' ' 16' ' ' SEP . 20.8 tt -61.76 135.8 25.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 123.727 0.642 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -143.31 159.27 42.65 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.85 0.719 . . . . 0.0 110.996 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -179.2 0.71 Allowed Pre-proline 0 CA--C 1.561 1.366 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.355 177.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.408 ' HB3' HE22 ' B' ' 23' ' ' GLN . 35.5 Cg_exo -55.66 122.06 11.06 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 C-N-CA 121.845 1.697 . . . . 0.0 110.034 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.02 -44.36 94.64 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.186 0.517 . . . . 0.0 109.881 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.42 ' CD ' ' H ' ' B' ' 23' ' ' GLN . 0.0 OUTLIER -74.3 170.27 15.95 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.017 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 -94.51 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.48 ' HG2' ' H ' ' B' ' 26' ' ' GLN . 17.4 ttp85 71.26 178.36 0.25 Allowed 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.286 1.041 . . . . 0.0 110.502 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' B' ' 25' ' ' ARG . 9.7 mt-30 -54.28 -48.25 71.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.232 -1.349 . . . . 0.0 113.141 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.403 HD22 ' HD2' ' B' ' 21' ' ' PRO . 49.8 t30 -57.68 -51.73 68.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 118.597 0.635 . . . . 0.0 112.684 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.19 -46.69 79.73 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.673 0.608 . . . . 0.0 109.903 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -58.55 -44.57 89.71 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 122.695 0.398 . . . . 0.0 110.255 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.86 -40.8 97.4 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.87 -34.61 77.74 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -65.33 -27.7 68.78 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.464 0.477 . . . . 0.0 109.786 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.764 HG23 ' CD1' ' A' ' 37' ' ' LEU . 84.5 mt -63.28 -43.71 98.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -60.24 -41.94 94.22 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.809 0.693 . . . . 0.0 109.733 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.74 -44.88 93.59 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.545 0.528 . . . . 0.0 109.615 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.31 -37.21 80.37 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 123.714 0.634 . . . . 0.0 111.054 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.755 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.0 mt -66.86 -43.61 83.14 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.6 mt -60.43 -42.17 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 125.349 1.656 . . . . 0.0 108.379 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.67 -43.75 95.77 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.554 HG22 HD12 ' B' ' 44' ' ' LEU . 1.3 mm -63.18 -42.09 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.0 m -58.59 -48.74 79.93 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 45' ' ' ILE . 56.1 mt -61.84 -40.98 97.2 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.928 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.2 tp -66.58 -50.76 62.03 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.554 HD12 HG22 ' B' ' 40' ' ' ILE . 2.3 mt -52.98 -33.72 52.67 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.963 0.347 . . . . 0.0 110.855 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 42' ' ' LEU . 54.6 mt -62.9 -42.02 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.8 m -64.59 -37.57 88.03 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 48' ' ' ILE . 89.0 mt -64.07 -43.83 97.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.455 HD11 HG13 ' C' ' 47' ' ' ILE . 1.8 mm -61.79 -44.23 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 124.588 1.18 . . . . 0.0 110.232 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.44 -44.63 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 79.9 mmm -67.0 -32.01 72.95 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.813 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -40.9 77.0 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 CA--C 1.543 0.708 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.327 178.644 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -63.12 -36.52 83.89 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.64 -41.81 95.89 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.509 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.63 -44.62 98.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 124.28 0.988 . . . . 0.0 108.684 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.81 -43.89 97.94 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.997 0.811 . . . . 0.0 109.751 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.71 -39.78 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 124.009 0.818 . . . . 0.0 109.153 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.472 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.8 OUTLIER -62.44 -42.75 99.68 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.867 0.73 . . . . 0.0 109.203 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.83 -46.67 86.86 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.69 -41.53 99.15 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.117 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.09 -42.09 99.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.06 90.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.253 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.19 -42.7 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.108 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.474 HH21 HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.27 -43.3 96.32 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.379 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.474 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER -66.02 -43.15 88.49 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.204 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.87 88.95 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.948 0.78 . . . . 0.0 110.399 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SEP . . . . . 0.4 ' OG ' HG22 ' C' ' 18' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -63.4 -22.45 66.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.147 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.4 HG22 ' OG ' ' C' ' 16' ' ' SEP . 20.7 tt -61.42 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 123.439 0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -143.38 159.03 43.13 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.901 0.751 . . . . 0.0 111.067 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 179.9 0.89 Allowed Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.132 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.69 122.19 11.31 Favored 'Trans proline' 0 N--CA 1.507 2.285 0 C-N-CA 121.827 1.684 . . . . 0.0 110.13 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -60.25 -42.39 95.21 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' C' ' 23' ' ' GLN . 0.0 OUTLIER -76.62 163.32 26.98 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.027 176.241 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -83.38 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 O-C-N 123.39 0.431 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 72.82 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 122.931 0.492 . . . . 0.0 111.63 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -89.51 -48.5 7.27 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.641 0.588 . . . . 0.0 112.574 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.01 -51.04 70.82 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.67 -45.36 87.05 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 124.005 0.816 . . . . 0.0 109.774 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -59.38 -43.85 92.83 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.57 -41.37 98.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.98 -34.52 77.71 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.786 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -65.26 -26.86 68.28 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' B' ' 37' ' ' LEU . 89.5 mt -63.16 -44.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.36 -42.06 94.97 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.816 0.698 . . . . 0.0 109.389 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.2 -43.48 92.22 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.599 0.562 . . . . 0.0 109.819 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -50.8 65.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.044 0.84 . . . . 0.0 109.526 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.746 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.8 mt -56.82 -44.75 82.33 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.497 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.52 -43.82 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 125.068 1.48 . . . . 0.0 108.083 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.93 -43.63 98.27 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' B' ' 41' ' ' CYS . 3.5 mm -62.75 -44.28 99.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.1 m -56.65 -47.12 80.46 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.989 0.515 . . . . 0.0 109.744 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' C' ' 45' ' ' ILE . 57.2 mt -62.68 -35.47 79.79 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.594 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -78.37 -28.21 47.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.131 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.526 HD13 HD12 ' D' ' 40' ' ' ILE . 2.7 mp -70.12 -35.61 74.23 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' C' ' 42' ' ' LEU . 64.0 mt -61.03 -41.6 89.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.0 -41.55 98.19 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.455 HG13 HD11 ' B' ' 48' ' ' ILE . 63.7 mt -65.79 -42.17 91.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.524 HD11 HG13 ' D' ' 47' ' ' ILE . 1.6 mm -60.51 -44.94 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.027 0.83 . . . . 0.0 109.739 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.65 -44.94 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 72.5 mmm -66.14 -31.72 72.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.181 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 38.9 tp -74.19 -38.75 63.53 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 109.155 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 CA--C 1.543 0.696 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.267 178.366 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -62.5 -36.16 81.66 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.59 -42.02 95.85 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.33 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.57 -44.97 98.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.172 0.92 . . . . 0.0 109.74 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.42 -40.28 96.02 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.818 0.699 . . . . 0.0 109.272 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.8 OUTLIER -62.29 -43.1 99.61 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.817 0.698 . . . . 0.0 109.123 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -62.76 -46.16 89.34 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.27 -42.65 99.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.101 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -64.01 -40.79 97.13 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.993 0.808 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.29 94.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.485 0.491 . . . . 0.0 109.716 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.54 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.013 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.6 ttp180 -60.22 -43.42 96.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.601 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -66.06 -43.33 87.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.029 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.14 89.99 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.538 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 24.9 m -63.34 -22.33 66.81 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 tt -61.5 135.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 O-C-N 123.569 0.543 . . . . 0.0 110.812 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -143.3 158.96 43.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.054 0.846 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -179.65 0.81 Allowed Pre-proline 0 CA--C 1.562 1.426 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.176 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.407 ' HB3' HE22 ' D' ' 23' ' ' GLN . 31.6 Cg_exo -55.52 122.34 11.56 Favored 'Trans proline' 0 N--CA 1.504 2.145 0 C-N-CA 121.715 1.61 . . . . 0.0 110.05 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' D' ' 23' ' ' GLN . 0.0 OUTLIER -74.43 170.2 16.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.99 -95.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 110.021 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' D' ' 26' ' ' GLN . 16.5 ttp85 70.9 179.01 0.25 Allowed 'General case' 0 C--N 1.369 1.43 0 O-C-N 121.422 -0.799 . . . . 0.0 110.591 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.473 ' H ' ' HG2' ' D' ' 25' ' ' ARG . 9.3 mt-30 -55.65 -47.38 76.76 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 114.514 -1.221 . . . . 0.0 113.237 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.62 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.737 0.699 . . . . 0.0 112.473 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.13 -46.35 84.52 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -59.21 -44.37 92.27 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.66 -41.18 98.22 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.73 -34.1 76.48 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.57 -26.98 68.1 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' C' ' 37' ' ' LEU . 89.9 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' D' ' 37' ' ' LEU . 14.2 m120 -59.42 -42.1 91.07 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.389 1.056 . . . . 0.0 109.826 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.93 -44.03 94.59 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.525 0.515 . . . . 0.0 109.779 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.7 t -69.56 -34.73 74.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.59 0.556 . . . . 0.0 111.712 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.752 ' CD1' HG23 ' E' ' 33' ' ' ILE . 15.5 mt -69.6 -43.87 71.89 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -60.49 -41.2 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.882 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.45 -43.27 94.77 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.325 1.016 . . . . 0.0 108.743 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.526 HD12 HD13 ' C' ' 44' ' ' LEU . 10.6 mm -64.17 -42.57 95.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.4 m -57.66 -48.76 78.6 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.96 0.787 . . . . 0.0 109.3 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' D' ' 45' ' ' ILE . 56.9 mt -62.38 -41.65 98.8 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.669 1.23 . . . . 0.0 110.453 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.4 tp -66.17 -50.3 64.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.575 HD13 HG23 ' E' ' 40' ' ' ILE . 9.3 mt -50.92 -35.51 33.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.868 0.467 . . . . 0.0 110.807 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 42' ' ' LEU . 57.1 mt -62.83 -42.09 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.6 m -64.56 -37.72 88.55 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.524 HG13 HD11 ' C' ' 48' ' ' ILE . 68.6 mt -63.98 -43.39 97.64 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.518 HD11 HG13 ' E' ' 47' ' ' ILE . 1.6 mm -63.11 -45.03 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 124.194 0.934 . . . . 0.0 110.142 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.67 -45.26 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.191 0.932 . . . . 0.0 109.052 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.3 -31.29 72.35 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.195 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.11 -38.8 63.71 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 CA--C 1.546 0.792 0 O-C-N 124.768 1.292 . . . . 0.0 110.4 178.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.14 -36.14 80.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.63 -42.01 95.77 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.511 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.71 -45.35 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -60.58 -44.6 96.04 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.109 0.881 . . . . 0.0 109.584 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.48 -40.39 96.52 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.965 0.791 . . . . 0.0 109.316 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.442 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.8 OUTLIER -61.94 -43.26 99.21 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.8 -46.19 89.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.204 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.19 -42.83 99.65 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.001 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.137 0.898 . . . . 0.0 110.511 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.26 94.25 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.809 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.67 -42.46 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.029 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.6 ttp180 -60.29 -43.38 96.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.577 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -66.0 -43.43 87.78 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.092 178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.99 89.4 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.042 0.839 . . . . 0.0 110.444 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -63.48 -22.27 66.79 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.167 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 tt -61.71 135.78 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 123.725 0.641 . . . . 0.0 110.701 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -143.43 158.96 43.22 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.883 0.739 . . . . 0.0 111.049 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -179.66 0.77 Allowed Pre-proline 0 CA--C 1.556 1.187 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.227 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.405 ' HB3' HE22 ' E' ' 23' ' ' GLN . 31.6 Cg_exo -55.6 122.65 12.12 Favored 'Trans proline' 0 N--CA 1.508 2.356 0 C-N-CA 121.52 1.48 . . . . 0.0 110.336 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -60.67 -44.27 96.68 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' E' ' 23' ' ' GLN . 0.0 OUTLIER -74.0 169.9 16.53 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 108.121 175.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.61 -95.03 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.477 ' HG2' ' H ' ' E' ' 26' ' ' GLN . 16.5 ttp85 70.58 179.55 0.24 Allowed 'General case' 0 CA--C 1.558 1.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.382 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.477 ' H ' ' HG2' ' E' ' 25' ' ' ARG . 10.4 mt-30 -55.15 -47.77 74.66 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.887 -177.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.59 -52.7 64.36 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.598 0.636 . . . . 0.0 112.683 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.19 -46.38 84.18 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.027 0.83 . . . . 0.0 110.127 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -59.11 -44.87 92.0 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.55 -41.44 98.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.31 -34.11 75.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -65.34 -27.39 68.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.752 HG23 ' CD1' ' D' ' 37' ' ' LEU . 87.7 mt -63.21 -43.93 99.04 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.68 -41.73 91.33 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.963 0.789 . . . . 0.0 109.628 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -59.89 -43.74 94.62 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.723 0.639 . . . . 0.0 109.962 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -65.09 -48.76 72.56 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.973 0.796 . . . . 0.0 109.901 178.66 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.747 ' CD1' HG23 ' A' ' 33' ' ' ILE . 16.6 mt -57.7 -44.96 86.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.336 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -61.91 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.551 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.96 -44.65 96.31 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.575 HG23 HD13 ' D' ' 44' ' ' LEU . 66.9 mt -66.29 -40.81 87.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.726 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -56.2 -47.67 77.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -62.56 -40.84 98.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.561 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' D' ' 44' ' ' LEU . 12.9 tp -65.98 -50.57 63.85 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 40' ' ' ILE . 2.6 mt -53.37 -33.48 53.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.322 0.249 . . . . 0.0 110.652 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.3 mt -62.66 -41.58 92.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.93 -37.65 88.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.518 HG13 HD11 ' D' ' 48' ' ' ILE . 83.8 mt -63.99 -43.46 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 47' ' ' ILE . 1.8 mm -63.36 -44.54 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.215 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.429 HG23 ' O ' ' E' ' 45' ' ' ILE . 46.7 t -62.06 -45.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 O-C-N 123.926 0.766 . . . . 0.0 109.293 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mmm -62.08 -53.19 59.0 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.06 -39.43 66.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.05 177.663 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -62.43 -37.3 85.3 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.725 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.84 -45.0 96.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 124.163 0.915 . . . . 0.0 109.034 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.03 -41.31 99.49 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.025 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.1 -40.56 96.26 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.94 0.775 . . . . 0.0 109.185 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.412 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.99 -42.74 99.47 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -62.62 -45.79 91.22 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.94 -41.46 99.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -63.69 -40.29 96.43 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.427 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.46 93.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.749 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.5 -42.5 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.132 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.1 ttp180 -59.26 -42.43 91.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.583 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.494 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -66.68 -42.02 87.15 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.89 0.744 . . . . 0.0 109.468 178.662 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.64 25.99 1.37 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.921 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -154.91 8.09 0.29 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.073 0.858 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.94 97.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -138.92 160.58 39.39 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.62 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.1 161.34 9.5 Favored Pre-proline 0 N--CA 1.477 0.908 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.889 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.5 111.53 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.719 1.613 . . . . 0.0 112.407 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -62.97 -24.5 67.92 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.398 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.67 -22.05 61.39 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.02 -53.85 0.7 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.976 1.311 . . . . 0.0 111.087 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -53.43 -50.95 64.14 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 122.57 1.176 . . . . 0.0 109.658 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.2 -41.73 79.94 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 112.962 -1.926 . . . . 0.0 109.512 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.75 -27.19 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.678 0.611 . . . . 0.0 111.937 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 1.6 mm? -61.76 -42.37 98.89 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' A' ' 33' ' ' ILE . 7.0 tt0 -61.53 -40.13 93.55 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 118.185 0.448 . . . . 0.0 109.932 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.34 -42.28 99.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.006 0.816 . . . . 0.0 109.159 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.81 -42.28 98.82 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.872 0.733 . . . . 0.0 111.104 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 9.2 m-85 -75.0 -59.44 2.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 HD11 ' E' ' 37' ' ' LEU . 74.2 mt -63.24 -47.34 92.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.241 0.473 . . . . 0.0 110.443 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 62.2 t80 -56.47 -44.27 80.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.67 -53.69 37.77 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.641 1.213 . . . . 0.0 110.183 178.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD1' HG23 ' B' ' 33' ' ' ILE . 20.5 mt -55.08 -46.95 75.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.398 1.094 . . . . 0.0 110.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -57.8 -42.15 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.035 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.3 mt -62.86 -42.22 99.67 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.787 HD11 ' SG ' ' E' ' 41' ' ' CYS . 21.5 mm -64.14 -43.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.309 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 67.9 m -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 0.0 109.356 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.08 -40.17 94.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.591 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.52 -29.03 62.21 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.803 0.69 . . . . 0.0 111.558 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.2 mt -67.91 -40.24 83.45 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -42.64 96.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 114.57 -1.195 . . . . 0.0 107.988 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.7 m -63.19 -38.74 92.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.921 0.763 . . . . 0.0 109.986 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 44' ' ' LEU . 35.0 mt -62.09 -43.52 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.576 ' CD1' HD11 ' B' ' 43' ' ' LEU . 75.0 mt -64.68 -42.59 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 O-C-N 123.906 0.754 . . . . 0.0 110.168 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.51 -44.66 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 123.763 0.664 . . . . 0.0 109.226 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.1 mmm -66.62 -36.3 82.26 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.229 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.68 -42.05 98.07 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.216 -0.684 0 O-C-N 124.276 0.985 . . . . 0.0 110.312 179.597 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.08 -37.85 88.82 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.15 -41.88 94.31 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.829 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.74 -45.04 96.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.127 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.04 -41.39 99.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.16 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.92 -40.89 97.06 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.368 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.6 -46.47 88.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.82 -41.05 99.14 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.108 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -63.19 -40.44 97.51 Favored 'General case' 0 C--O 1.223 -0.323 0 O-C-N 124.012 0.82 . . . . 0.0 110.119 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.09 84.19 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.274 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -44.93 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.818 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 11.6 ptt180 -70.46 -28.71 65.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.8 -47.72 74.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.942 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.66 6.94 1.45 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.982 0.913 . . . . 0.0 109.113 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.84 96.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.19 161.24 37.9 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.56 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 3.1 mtt -59.05 161.08 9.8 Favored Pre-proline 0 CA--C 1.547 0.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -47.96 111.13 0.39 Allowed 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 121.759 1.639 . . . . 0.0 112.343 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.52 -23.91 67.59 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.258 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -60.24 -21.73 62.2 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.91 -53.65 0.7 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.218 1.407 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -54.01 -49.59 68.53 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.378 1.085 . . . . 0.0 109.528 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -57.59 -41.96 82.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.724 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.9 -26.46 65.11 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.9 0.75 . . . . 0.0 112.274 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' B' ' 28' ' ' LEU . 1.9 mm? -62.12 -41.94 98.74 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.409 ' HG2' HD12 ' B' ' 33' ' ' ILE . 7.0 tt0 -61.85 -39.75 92.95 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.25 -43.34 99.05 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.002 0.814 . . . . 0.0 109.237 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.27 -42.64 98.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.205 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' B' ' 28' ' ' LEU . 9.7 m-85 -74.35 -59.54 2.68 Favored 'General case' 0 C--O 1.244 0.812 0 O-C-N 123.708 0.63 . . . . 0.0 112.532 -178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 37' ' ' LEU . 72.3 mt -63.22 -47.12 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.71 -41.02 97.06 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.44 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 55.6 t80 -56.63 -44.41 81.2 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.702 0.626 . . . . 0.0 109.378 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -66.49 -52.64 43.86 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.02 0.825 . . . . 0.0 110.877 178.516 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.629 HD11 HG23 ' C' ' 33' ' ' ILE . 34.5 mt -55.92 -44.46 78.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.41 0.624 . . . . 0.0 110.78 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.45 -42.97 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.126 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.5 mt -62.62 -41.73 99.18 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.513 0.508 . . . . 0.0 110.055 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 44' ' ' LEU . 5.5 mm -63.16 -44.75 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 86.1 m -57.07 -47.98 79.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.86 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.74 -43.49 96.35 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.571 -1.195 . . . . 0.0 111.054 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 48' ' ' ILE . 23.3 tp -65.36 -48.41 73.05 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' B' ' 47' ' ' ILE . 14.1 mt -51.91 -39.55 59.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.515 0.326 . . . . 0.0 110.28 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.36 -43.42 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.34 -34.7 78.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.933 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' B' ' 44' ' ' LEU . 74.6 mt -62.67 -42.64 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.574 HD11 HG12 ' C' ' 47' ' ' ILE . 24.6 mm -63.24 -43.56 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.896 0.748 . . . . 0.0 109.339 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.75 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 123.634 0.584 . . . . 0.0 109.838 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.7 mmm -66.57 -37.1 84.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.154 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.69 -41.85 98.07 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 CA--C 1.542 0.637 0 O-C-N 124.311 1.007 . . . . 0.0 110.538 179.686 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.54 -37.79 88.66 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.77 -41.77 91.66 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.118 0.886 . . . . 0.0 109.657 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.88 -44.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 124.424 1.078 . . . . 0.0 108.705 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.49 -43.45 98.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.325 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.78 -40.41 95.09 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 124.2 0.937 . . . . 0.0 109.264 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.429 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.01 -43.01 99.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.22 -46.29 89.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.91 -41.37 99.42 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.103 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.77 -40.49 96.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.425 0.69 . . . . 0.0 110.306 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.33 92.98 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.51 -42.38 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.708 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -60.44 -41.96 95.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -65.69 -44.01 87.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.053 179.135 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.11 72.34 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 123.952 0.783 . . . . 0.0 110.121 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -144.69 7.56 1.27 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.199 1.0 . . . . 0.0 108.953 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 96.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.734 0.814 . . . . 0.0 108.95 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -139.04 161.04 38.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.408 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.05 161.24 9.53 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -48.02 110.95 0.37 Allowed 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.875 1.717 . . . . 0.0 112.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -63.1 -23.55 67.49 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.527 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.92 -21.4 63.35 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.24 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.31 -54.51 0.69 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.288 1.435 . . . . 0.0 110.852 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -53.97 -49.95 67.63 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.742 0.782 . . . . 0.0 110.128 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.79 -41.73 78.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.302 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -69.38 -26.95 64.91 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.914 0.759 . . . . 0.0 112.565 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' C' ' 28' ' ' LEU . 1.7 mm? -61.77 -42.37 98.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.536 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.434 ' HG2' HD12 ' C' ' 33' ' ' ILE . 7.0 tt0 -61.15 -40.05 92.4 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.4 -43.18 99.44 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.57 -42.28 98.63 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.252 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.445 ' CZ ' HD12 ' C' ' 28' ' ' LEU . 10.1 m-85 -75.24 -58.65 3.15 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.765 0.665 . . . . 0.0 112.185 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.629 HG23 HD11 ' B' ' 37' ' ' LEU . 70.3 mt -63.75 -47.28 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -62.2 -40.62 96.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.308 0.504 . . . . 0.0 110.477 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.8 t80 -56.74 -44.9 82.16 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -52.75 45.05 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.893 0.746 . . . . 0.0 110.433 178.523 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' D' ' 33' ' ' ILE . 33.6 mt -54.94 -45.9 74.89 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.896 0.855 . . . . 0.0 110.342 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.75 -42.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 113.72 -1.582 . . . . 0.0 108.855 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.4 mt -61.29 -42.17 98.21 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.454 HD11 ' SG ' ' B' ' 41' ' ' CYS . 6.0 mm -63.29 -43.87 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 62.7 m -55.97 -49.09 74.54 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.739 0.649 . . . . 0.0 109.485 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.65 -40.62 95.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -72.47 -28.34 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.588 0.555 . . . . 0.0 111.694 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' C' ' 47' ' ' ILE . 10.7 mt -68.61 -40.12 80.56 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.2 -42.3 95.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.6 -37.71 87.34 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.691 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.574 HG12 HD11 ' B' ' 48' ' ' ILE . 37.0 mt -62.43 -42.97 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.576 HD11 HG12 ' D' ' 47' ' ' ILE . 23.5 mm -63.1 -43.96 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 123.813 0.696 . . . . 0.0 109.645 178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.81 -45.99 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.842 0.714 . . . . 0.0 110.013 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mmm -66.38 -37.48 85.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.903 0.752 . . . . 0.0 110.199 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.42 -41.83 98.72 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.342 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.213 -0.859 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.39 179.569 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.74 -37.84 88.15 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.03 -41.91 94.85 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.723 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.11 -44.86 95.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 124.294 0.997 . . . . 0.0 108.997 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.98 -41.44 99.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 124.248 0.968 . . . . 0.0 108.948 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.94 -40.6 96.1 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.278 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.43 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.09 -42.54 99.32 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -62.5 -46.04 90.27 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.127 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.93 -41.3 99.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.257 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.77 -40.51 96.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.957 0.786 . . . . 0.0 110.359 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.38 93.45 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.47 -42.5 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.798 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.511 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.25 -42.21 94.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.813 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.511 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -65.72 -43.95 87.52 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.024 0.828 . . . . 0.0 110.092 179.258 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.89 -50.0 72.62 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.901 0.751 . . . . 0.0 110.258 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 7.72 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.181 0.993 . . . . 0.0 108.897 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 37.2 mm -61.27 97.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -139.39 162.04 35.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.486 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 3.3 mtt -60.1 161.36 13.01 Favored Pre-proline 0 N--CA 1.477 0.922 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -48.54 111.18 0.42 Allowed 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 121.754 1.636 . . . . 0.0 112.355 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.86 -24.62 67.89 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.192 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.79 -21.88 61.41 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.311 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.11 -54.23 0.7 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.645 1.178 . . . . 0.0 111.12 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -53.72 -50.22 66.41 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.246 1.022 . . . . 0.0 109.815 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -56.66 -42.0 78.19 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 113.134 -1.848 . . . . 0.0 109.388 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.87 -27.1 64.54 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.971 0.794 . . . . 0.0 112.559 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' D' ' 28' ' ' LEU . 1.6 mm? -61.61 -41.97 98.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' D' ' 33' ' ' ILE . 6.9 tt0 -61.7 -40.4 94.88 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.11 -42.37 99.16 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.04 0.838 . . . . 0.0 109.274 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.82 -42.1 98.6 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.451 ' CZ ' HD12 ' D' ' 28' ' ' LEU . 9.8 m-85 -75.84 -59.15 2.88 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.706 0.629 . . . . 0.0 112.513 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' C' ' 37' ' ' LEU . 70.2 mt -63.13 -47.23 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -62.13 -40.4 95.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.111 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.454 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 68.3 t80 -58.15 -44.41 87.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -64.59 -57.58 8.72 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 124.144 0.902 . . . . 0.0 109.598 178.286 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.613 HD11 HG23 ' E' ' 33' ' ' ILE . 13.8 mt -46.46 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 75.0 mt -33.94 -45.18 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.566 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.6 mt -63.4 -43.53 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.499 HG23 ' CD1' ' C' ' 44' ' ' LEU . 6.5 mm -60.37 -43.67 94.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 29.8 m -57.28 -48.49 78.77 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.35 -38.41 90.02 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.862 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.71 -29.06 62.05 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 123.525 0.516 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mt -68.02 -40.82 82.85 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.83 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.98 -38.61 91.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' D' ' 44' ' ' LEU . 37.8 mt -62.74 -42.56 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' E' ' 43' ' ' LEU . 1.0 OUTLIER -62.11 -45.03 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.61 -45.48 95.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 123.836 0.71 . . . . 0.0 110.395 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.98 -37.13 85.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.1 -41.91 99.48 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.882 0.739 . . . . 0.0 109.036 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.216 -0.692 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.348 179.463 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.23 -38.08 85.35 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.38 -41.5 93.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.437 1.086 . . . . 0.0 109.727 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.92 -41.35 99.43 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.168 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -40.41 95.79 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 124.007 0.817 . . . . 0.0 109.145 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.415 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.72 99.53 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.79 -41.3 99.21 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.171 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -64.06 -40.22 95.79 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.878 0.736 . . . . 0.0 110.26 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.39 92.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.15 -42.78 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.877 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.15 -42.06 94.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.741 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -65.95 -43.8 86.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.067 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.06 72.6 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 123.966 0.791 . . . . 0.0 110.145 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -144.73 7.38 1.25 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.162 0.985 . . . . 0.0 108.913 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.93 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.658 0.783 . . . . 0.0 108.925 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -138.99 160.89 38.69 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.615 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 3.1 mtt -59.08 161.01 10.07 Favored Pre-proline 0 N--CA 1.478 0.956 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -47.91 111.07 0.38 Allowed 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.67 1.58 . . . . 0.0 112.48 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -63.2 -24.2 67.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.146 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.39 -21.61 62.38 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.32 1.013 . . . . 0.0 110.109 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.25 -54.44 0.69 Allowed 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.726 1.21 . . . . 0.0 111.244 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -53.57 -50.24 65.99 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 122.038 0.923 . . . . 0.0 110.09 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -58.15 -41.13 83.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.717 -2.038 . . . . 0.0 108.788 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.38 -26.34 64.61 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' E' ' 28' ' ' LEU . 2.1 mm? -61.36 -42.84 99.36 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.19 -40.2 93.04 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.8 -43.19 99.35 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.48 -42.32 98.61 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.25 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.431 ' CZ ' HD12 ' E' ' 28' ' ' LEU . 10.4 m-85 -74.78 -59.13 2.87 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.679 0.612 . . . . 0.0 112.44 -178.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.613 HG23 HD11 ' D' ' 37' ' ' LEU . 68.1 mt -63.1 -47.53 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -40.96 95.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.119 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -58.04 -44.25 87.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.672 0.608 . . . . 0.0 109.489 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -64.23 -58.51 6.37 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.387 1.054 . . . . 0.0 109.499 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 33' ' ' ILE . 15.8 mt -46.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -35.41 -44.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 O-C-N 125.164 1.54 . . . . 0.0 110.606 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 31.5 mt -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 118.131 0.423 . . . . 0.0 110.531 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' D' ' 41' ' ' CYS . 6.0 mm -60.29 -44.32 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.802 0.689 . . . . 0.0 109.275 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.7 m -56.86 -47.14 81.11 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.961 0.788 . . . . 0.0 109.439 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.84 -41.49 95.67 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.467 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' D' ' 48' ' ' ILE . 32.0 tp -73.66 -26.14 60.6 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.36 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.715 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.0 mt -68.46 -39.87 81.28 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.23 -42.18 94.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 46' ' ' CYS . . . . . 0.454 ' HB2' HD12 ' E' ' 43' ' ' LEU . 97.8 m -63.3 -36.45 83.72 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.715 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' E' ' 44' ' ' LEU . 48.9 mt -62.04 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.493 HD11 HG12 ' A' ' 47' ' ' ILE . 23.0 mm -62.95 -44.19 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.807 0.692 . . . . 0.0 109.775 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.72 -46.46 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 123.641 0.588 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.37 -36.53 81.55 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.36 -41.68 98.84 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.894 0.746 . . . . 0.0 109.135 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.44 179.503 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.61 -32.63 67.42 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.512 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.61 -42.36 95.58 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.523 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.18 -43.52 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.818 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.79 -38.9 87.42 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.6 -39.85 85.56 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.983 0.802 . . . . 0.0 109.731 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.4 tm? -62.88 -43.24 99.32 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -63.63 -46.23 86.63 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.228 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -63.1 -38.21 90.29 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.286 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -62.53 -42.82 99.77 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 123.997 0.811 . . . . 0.0 109.55 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.81 93.15 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.808 0.693 . . . . 0.0 110.217 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.813 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' HE ' HH22 ' A' ' 14' ' ' ARG . 48.3 ttp180 -60.94 -36.97 80.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.065 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.574 HH22 ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -62.84 -36.81 84.46 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.783 178.756 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.68 -34.59 67.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.851 0.719 . . . . 0.0 109.666 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -62.87 -51.62 66.29 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 124.157 0.911 . . . . 0.0 110.447 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.1 mt -138.37 134.59 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -49.73 119.25 3.34 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.048 0.217 . . . . 0.0 110.655 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.53 -70.82 0.06 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -70.15 139.08 38.04 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 C-N-CA 121.713 1.608 . . . . 0.0 110.725 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' NE2' ' N ' ' B' ' 26' ' ' GLN . 26.4 mt-30 -81.85 -80.39 0.16 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.793 0.683 . . . . 0.0 111.656 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -122.9 -48.16 2.02 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 124.824 1.328 . . . . 0.0 110.19 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.49 -74.63 0.36 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.785 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -132.43 -1.01 3.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.253 1.021 . . . . 0.0 109.136 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' N ' ' NE2' ' E' ' 22' ' ' GLN . 88.8 mt-30 -44.21 -49.05 9.35 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.158 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -59.45 -42.44 91.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.547 0.339 . . . . 0.0 111.759 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -61.58 -50.76 71.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 123.777 0.673 . . . . 0.0 110.123 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.66 89.78 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.196 0.31 . . . . 0.0 111.014 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -46.45 77.37 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.87 -45.73 88.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.761 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -63.12 -50.19 71.45 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.051 0.844 . . . . 0.0 112.365 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 ' CD1' ' E' ' 37' ' ' LEU . 63.1 mt -64.55 -44.61 96.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 123.442 0.464 . . . . 0.0 110.28 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -58.86 -45.89 89.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -59.83 -44.76 93.89 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.808 0.692 . . . . 0.0 110.382 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.89 -41.13 91.93 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' B' ' 33' ' ' ILE . 15.4 mt -65.27 -45.97 82.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.809 0.693 . . . . 0.0 109.234 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.6 mt -57.27 -41.33 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 112.905 -1.952 . . . . 0.0 107.588 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 35' ' ' PHE . 24.0 mt -62.84 -42.1 99.61 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 123.895 0.747 . . . . 0.0 109.801 176.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.592 HG23 HD11 ' E' ' 44' ' ' LEU . 32.9 mm -62.73 -43.97 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 60.8 m -55.24 -49.44 72.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.596 0.56 . . . . 0.0 109.713 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.56 -39.59 88.6 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.974 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.6 tp -74.35 -29.99 61.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.07 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.647 HD11 HG23 ' B' ' 40' ' ' ILE . 24.3 mt -63.29 -40.3 97.0 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.42 -44.92 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.682 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.03 -32.96 74.7 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.553 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG23 HD11 ' E' ' 48' ' ' ILE . 19.2 mt -62.04 -42.15 93.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 O-C-N 123.673 0.608 . . . . 0.0 109.557 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD11 HG23 ' B' ' 47' ' ' ILE . 25.6 mm -63.16 -41.98 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.882 0.739 . . . . 0.0 109.787 178.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.87 -46.09 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 123.79 0.681 . . . . 0.0 109.5 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.8 mmm -65.87 -39.92 91.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.852 0.72 . . . . 0.0 110.432 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.06 -42.41 99.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.795 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.64 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.3 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.54 -32.68 67.33 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.68 -42.01 95.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.564 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.18 -43.56 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.146 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -66.68 -38.83 87.6 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.69 -40.11 86.77 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.009 0.818 . . . . 0.0 109.495 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.443 ' C ' HD13 ' B' ' 7' ' ' LEU . 3.3 tm? -62.78 -43.26 99.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.928 0.767 . . . . 0.0 108.958 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.9 m -63.87 -46.0 86.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.242 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -63.24 -38.52 91.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.286 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -62.58 -42.79 99.77 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.981 0.801 . . . . 0.0 109.451 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.85 94.32 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.493 0.496 . . . . 0.0 110.158 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.93 -43.74 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.803 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.562 ' HE ' HH22 ' B' ' 14' ' ' ARG . 48.2 ttp180 -60.74 -36.95 80.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.073 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.562 HH22 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -62.77 -36.92 84.64 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.694 178.534 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.03 68.19 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.83 0.706 . . . . 0.0 109.517 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -63.05 -51.76 65.44 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.748 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 94.8 mt -138.13 134.5 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -49.34 119.39 3.31 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.104 0.252 . . . . 0.0 110.723 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 mmt -92.68 -71.13 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.11 138.07 38.96 Favored 'Trans proline' 0 N--CA 1.508 2.331 0 C-N-CA 121.844 1.696 . . . . 0.0 110.681 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' C' ' 26' ' ' GLN . 26.3 mt-30 -81.85 -79.23 0.18 Allowed 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.349 0.406 . . . . 0.0 112.023 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -122.85 -50.77 1.94 Allowed 'General case' 0 C--N 1.348 0.508 0 C-N-CA 124.35 1.06 . . . . 0.0 109.743 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.75 -71.34 0.39 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.72 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -134.35 -1.13 2.9 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.013 -0.994 . . . . 0.0 108.847 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.434 ' N ' ' NE2' ' A' ' 22' ' ' GLN . 88.4 mt-30 -44.48 -48.49 10.06 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.085 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -58.65 -43.0 89.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.475 ' N ' HD22 ' B' ' 28' ' ' LEU . 3.5 mm? -61.9 -50.64 71.38 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 123.643 0.589 . . . . 0.0 110.073 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -40.26 91.09 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.481 0.488 . . . . 0.0 110.923 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.72 -46.42 77.75 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.02 -45.55 88.44 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.619 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -62.98 -50.2 71.71 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.42 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 ' CD1' ' A' ' 37' ' ' LEU . 61.1 mt -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 O-C-N 123.624 0.577 . . . . 0.0 110.131 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -59.54 -44.81 93.11 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.6 t80 -59.6 -43.99 93.53 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.877 0.736 . . . . 0.0 110.261 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -64.0 -52.99 56.96 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.514 0.509 . . . . 0.0 110.623 179.257 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' C' ' 33' ' ' ILE . 12.2 mt -56.62 -44.07 80.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.63 -41.37 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 125.42 1.7 . . . . 0.0 108.07 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' B' ' 35' ' ' PHE . 26.8 mt -63.16 -41.34 99.23 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 109.79 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 44' ' ' LEU . 37.9 mm -62.75 -45.1 99.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.124 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 70.2 m -55.58 -48.87 74.12 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.511 0.507 . . . . 0.0 109.675 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.6 -39.35 88.34 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.74 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 tp -74.23 -30.21 62.06 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.812 0.445 . . . . 0.0 111.956 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' C' ' 40' ' ' ILE . 16.1 mt -63.61 -39.71 95.07 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.7 -44.5 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.05 -32.71 74.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.73 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 48' ' ' ILE . 19.5 mt -62.23 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.585 HD11 HG23 ' C' ' 47' ' ' ILE . 25.9 mm -63.0 -42.14 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.955 0.784 . . . . 0.0 109.927 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.87 -45.98 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.85 -40.0 91.31 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.784 0.678 . . . . 0.0 110.163 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.26 -42.48 99.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.588 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.658 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.142 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.1 -32.28 67.94 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.57 -42.29 95.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.683 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 88.3 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 124.402 1.063 . . . . 0.0 108.942 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.63 -39.06 88.11 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.47 -40.14 85.98 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 123.68 0.613 . . . . 0.0 109.666 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.451 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.68 -43.26 99.26 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.85 -45.91 87.37 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.517 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -63.22 -38.27 90.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.284 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -62.69 -42.62 99.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.925 0.765 . . . . 0.0 109.573 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.14 -42.78 93.52 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.623 0.577 . . . . 0.0 110.101 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.98 -43.85 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.584 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.49 -37.04 79.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.058 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.584 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER -62.84 -36.79 84.37 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.782 178.612 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -34.73 68.45 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.904 0.753 . . . . 0.0 109.621 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -63.05 -51.67 65.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.629 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.4 mt -138.22 134.72 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -49.37 118.82 2.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 122.984 0.178 . . . . 0.0 110.697 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.16 -70.66 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.14 139.15 38.25 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 C-N-CA 121.827 1.684 . . . . 0.0 110.842 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.43 ' NE2' ' N ' ' D' ' 26' ' ' GLN . 28.6 mt-30 -82.67 -82.69 0.14 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.799 0.687 . . . . 0.0 111.761 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -119.17 -49.72 2.38 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.477 1.111 . . . . 0.0 109.575 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.31 -73.92 0.38 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 124.048 0.842 . . . . 0.0 109.702 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.408 ' H ' HE21 ' B' ' 22' ' ' GLN . 58.0 mtp85 -131.99 -0.38 3.78 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.562 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.418 ' N ' ' NE2' ' B' ' 22' ' ' GLN . 88.4 mt-30 -44.94 -48.8 11.34 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 124.363 1.065 . . . . 0.0 111.242 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -59.38 -42.5 91.79 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 119.463 -0.303 . . . . 0.0 111.636 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.463 HD22 ' N ' ' C' ' 28' ' ' LEU . 3.4 mm? -61.59 -50.97 70.47 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.882 0.739 . . . . 0.0 110.243 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -40.0 91.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.135 0.272 . . . . 0.0 111.145 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -46.19 77.7 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.37 -45.41 87.84 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.633 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -63.3 -49.86 72.35 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.671 0.607 . . . . 0.0 112.456 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.5 mt -64.8 -44.58 96.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.279 0.362 . . . . 0.0 110.198 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -59.1 -45.52 90.67 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' C' ' 39' ' ' LEU . 38.6 t80 -59.15 -44.34 92.09 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.377 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -63.75 -53.26 53.79 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.189 0.93 . . . . 0.0 110.324 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 33' ' ' ILE . 12.4 mt -55.5 -46.42 76.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.63 -42.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 125.396 1.685 . . . . 0.0 108.589 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' C' ' 35' ' ' PHE . 26.3 mt -63.6 -41.06 98.36 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.419 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' B' ' 44' ' ' LEU . 38.1 mm -62.21 -43.76 98.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 66.0 m -56.46 -48.14 77.7 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.45 -39.2 88.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.373 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.37 -30.92 62.18 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 123.118 0.567 . . . . 0.0 112.105 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.657 HD11 HG23 ' D' ' 40' ' ' ILE . 27.1 mt -62.88 -40.24 96.9 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.9 -44.63 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.804 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.4 m -64.09 -33.03 74.84 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.585 HG23 HD11 ' B' ' 48' ' ' ILE . 19.5 mt -61.88 -42.31 94.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.558 HD11 HG23 ' D' ' 47' ' ' ILE . 25.3 mm -63.21 -41.8 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 123.865 0.728 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.9 -45.99 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 94.0 mmm -66.06 -39.65 90.26 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.878 0.736 . . . . 0.0 110.389 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.1 -42.62 99.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.712 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.617 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.345 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.43 -32.74 67.2 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.6 -42.18 95.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.65 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.27 -43.68 97.24 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.927 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -38.77 86.85 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.58 -40.51 87.63 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.835 0.709 . . . . 0.0 109.667 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.458 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -62.23 -43.79 98.04 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.56 -45.79 88.9 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.36 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -62.66 -39.24 93.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.143 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.4 m -63.2 -41.6 99.18 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.929 0.768 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.06 96.24 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.616 0.572 . . . . 0.0 109.898 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.95 -43.62 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.715 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH22 ' D' ' 14' ' ' ARG . 49.8 ttp180 -60.7 -37.32 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.09 177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.463 HH22 ' HE ' ' D' ' 13' ' ' ARG . 0.5 OUTLIER -62.72 -37.18 85.51 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.69 179.032 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.04 66.79 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.833 0.708 . . . . 0.0 109.594 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -62.52 -51.93 65.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.511 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 94.8 mt -138.58 133.55 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -48.79 121.26 4.47 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.201 0.313 . . . . 0.0 110.541 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 21.9 mmt -93.32 -70.43 0.06 OUTLIER Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -70.93 139.01 35.26 Favored 'Trans proline' 0 N--CA 1.51 2.443 0 C-N-CA 121.891 1.728 . . . . 0.0 110.794 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.491 HE21 ' HB2' ' E' ' 25' ' ' ARG . 9.1 mt-30 -79.78 -80.28 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.34 0.4 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -122.61 -51.42 1.94 Allowed 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.176 0.922 . . . . 0.0 109.862 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.7 -73.53 0.45 Allowed 'General case' 0 C--N 1.347 0.493 0 O-C-N 124.331 1.019 . . . . 0.0 109.194 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -133.3 -1.85 3.17 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 124.109 0.88 . . . . 0.0 108.897 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.43 ' N ' ' NE2' ' C' ' 22' ' ' GLN . 95.5 mt-30 -44.11 -49.34 8.97 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.087 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -58.68 -42.29 88.18 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.465 ' N ' HD22 ' D' ' 28' ' ' LEU . 3.6 mm? -61.63 -50.89 70.74 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 123.462 0.476 . . . . 0.0 110.128 -178.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -39.4 91.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 122.345 0.258 . . . . 0.0 110.699 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -45.57 82.64 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 123.938 0.774 . . . . 0.0 109.077 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.32 -45.08 89.49 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.18 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -62.84 -50.2 71.88 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.767 0.667 . . . . 0.0 112.258 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.4 mt -64.23 -44.84 97.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 123.7 0.625 . . . . 0.0 110.25 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -59.52 -45.17 92.53 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' D' ' 39' ' ' LEU . 38.1 t80 -59.11 -44.45 91.99 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.959 0.787 . . . . 0.0 110.006 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -63.92 -53.22 53.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.895 0.747 . . . . 0.0 110.78 179.474 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.548 ' CD1' HG23 ' E' ' 33' ' ' ILE . 11.9 mt -56.44 -44.71 80.74 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.09 -42.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.152 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' D' ' 35' ' ' PHE . 28.4 mt -62.87 -41.96 99.59 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.657 HG23 HD11 ' C' ' 44' ' ' LEU . 36.2 mm -62.87 -43.47 98.91 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 65.1 m -55.89 -48.78 75.01 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.86 -39.17 87.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.954 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.9 -30.37 61.27 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.921 0.489 . . . . 0.0 112.011 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.611 HD11 HG23 ' E' ' 40' ' ' ILE . 20.0 mt -62.94 -40.23 97.0 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -65.97 -44.74 92.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.631 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.93 -32.57 74.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.724 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.558 HG23 HD11 ' C' ' 48' ' ' ILE . 19.4 mt -62.23 -42.24 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.59 HD11 HG23 ' E' ' 47' ' ' ILE . 26.0 mm -63.02 -42.17 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.835 0.71 . . . . 0.0 109.977 178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.9 -45.83 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.8 -40.18 91.64 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.787 0.68 . . . . 0.0 110.185 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -63.04 -42.54 99.77 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.766 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.164 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.74 -32.65 67.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.303 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.4 -42.16 96.25 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.413 1.071 . . . . 0.0 109.642 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.31 -43.69 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 124.149 0.906 . . . . 0.0 109.032 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -67.07 -38.74 86.31 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.48 -40.55 87.3 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.946 0.779 . . . . 0.0 109.689 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.442 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.3 tm? -62.28 -43.69 98.24 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -63.59 -45.62 89.54 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.349 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -63.04 -39.18 93.96 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.273 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -63.55 -41.18 98.45 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.998 0.812 . . . . 0.0 109.767 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.07 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.538 0.524 . . . . 0.0 109.807 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.13 -43.75 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 115.234 -0.893 . . . . 0.0 108.632 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH22 ' E' ' 14' ' ' ARG . 49.7 ttp180 -60.34 -37.3 80.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.169 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.472 HH22 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER -62.79 -37.0 84.95 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.627 178.769 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.592 0.558 . . . . 0.0 109.591 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -62.76 -51.65 66.31 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.671 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 94.4 mt -138.71 134.63 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -49.17 119.64 3.42 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.112 0.258 . . . . 0.0 110.793 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 22.4 mmt -92.87 -70.23 0.07 OUTLIER Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.43 138.55 35.93 Favored 'Trans proline' 0 N--CA 1.511 2.531 0 C-N-CA 121.894 1.73 . . . . 0.0 110.621 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.414 ' NE2' ' N ' ' A' ' 26' ' ' GLN . 27.1 mt-30 -81.42 -81.09 0.14 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.742 0.651 . . . . 0.0 111.744 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -119.83 -51.17 2.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.792 0.837 . . . . 0.0 109.989 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.42 -71.9 0.41 Allowed 'General case' 0 C--N 1.344 0.359 0 O-C-N 124.003 0.815 . . . . 0.0 109.611 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.491 ' HB2' HE21 ' D' ' 22' ' ' GLN . 57.6 mtp85 -134.1 -2.31 2.88 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -41.24 -49.0 3.62 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 124.456 1.102 . . . . 0.0 111.041 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -59.37 -42.9 92.69 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.693 0.621 . . . . 0.0 111.982 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.427 ' N ' HD22 ' E' ' 28' ' ' LEU . 4.0 mm? -60.84 -49.34 77.89 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.598 0.561 . . . . 0.0 109.988 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -40.65 89.31 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 122.334 0.253 . . . . 0.0 111.191 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -46.74 73.64 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.95 -45.7 88.0 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.615 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -62.93 -50.37 71.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.548 HG23 ' CD1' ' D' ' 37' ' ' LEU . 65.7 mt -64.31 -44.74 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 123.475 0.485 . . . . 0.0 110.323 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -59.53 -45.1 92.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.9 t80 -59.55 -44.01 93.37 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.945 0.778 . . . . 0.0 110.366 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.15 -52.86 57.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.588 0.555 . . . . 0.0 110.519 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.541 ' CD1' HG23 ' A' ' 33' ' ' ILE . 11.9 mt -56.25 -45.79 79.9 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.279 0.561 . . . . 0.0 109.927 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.85 -42.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.146 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' E' ' 35' ' ' PHE . 27.1 mt -63.91 -41.59 97.64 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 119.11 -0.471 . . . . 0.0 109.979 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.611 HG23 HD11 ' D' ' 44' ' ' LEU . 33.6 mm -62.03 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.58 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 63.7 m -54.45 -49.02 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.128 0.893 . . . . 0.0 109.774 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.68 -39.3 88.06 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.986 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 tp -74.93 -30.08 61.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.861 0.464 . . . . 0.0 111.846 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 40' ' ' ILE . 20.1 mt -63.35 -40.11 96.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.74 -44.64 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.651 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 95.3 m -63.94 -32.77 74.42 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.716 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.59 HG23 HD11 ' D' ' 48' ' ' ILE . 19.2 mt -61.86 -42.1 93.28 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.578 HD11 HG23 ' A' ' 47' ' ' ILE . 25.2 mm -63.21 -41.88 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 123.789 0.681 . . . . 0.0 109.854 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.87 -46.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 123.731 0.644 . . . . 0.0 109.302 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 94.4 mmm -66.05 -39.77 90.39 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.46 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.3 -42.16 99.03 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.828 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.543 0.687 0 O-C-N 124.216 0.947 . . . . 0.0 110.176 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -53.76 -39.38 65.3 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.977 0.511 . . . . 0.0 110.422 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -62.15 -41.35 98.19 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.44 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -60.97 -43.42 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.4 1.063 . . . . 0.0 109.44 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -55.16 -49.4 71.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.062 0.851 . . . . 0.0 109.415 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.89 -40.91 95.84 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.051 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.7 tm? -60.2 -42.65 95.54 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.724 0.64 . . . . 0.0 110.14 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -62.06 -45.77 92.08 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.12 -44.7 96.07 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.981 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 m -64.55 -40.12 95.01 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.861 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.25 94.57 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.862 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.21 -43.08 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.951 0.782 . . . . 0.0 109.048 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 HH21 ' NH2' ' A' ' 14' ' ' ARG . 52.2 ttp180 -60.56 -22.14 63.34 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.628 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -97.69 -39.51 9.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.846 0.716 . . . . 0.0 110.241 179.217 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 103.36 0.67 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.979 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.85 -46.81 83.36 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.478 ' H ' HD13 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -71.85 -23.88 22.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.119 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.76 150.35 47.57 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.3 mtp -29.16 129.88 0.22 Allowed Pre-proline 0 N--CA 1.484 1.259 0 C-N-CA 125.278 1.431 . . . . 0.0 114.753 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.13 -12.49 19.66 Favored 'Trans proline' 0 N--CA 1.514 2.727 0 C-N-CA 122.921 2.414 . . . . 0.0 111.804 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -56.69 -24.4 48.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.579 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.83 80.97 7.7 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -64.21 162.35 14.74 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.635 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -61.68 -31.31 71.43 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.071 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.22 -54.16 8.3 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.24 -31.24 61.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.144 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -33.43 75.8 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.688 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -53.49 -50.26 65.76 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.606 0.567 . . . . 0.0 109.534 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.25 -43.73 98.15 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.854 1.346 . . . . 0.0 110.905 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.29 -52.59 63.1 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.006 0.816 . . . . 0.0 111.545 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' E' ' 37' ' ' LEU . 67.4 mt -67.89 -44.38 85.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 124.107 0.88 . . . . 0.0 111.087 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -60.69 -42.92 98.13 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 32.5 t80 -58.45 -43.98 89.01 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -64.14 -50.56 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.136 0.272 . . . . 0.0 110.315 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.0 mt -58.06 -46.29 85.64 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.525 0.678 . . . . 0.0 110.498 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.13 -42.44 90.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.331 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.5 mt -62.47 -43.88 97.75 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 175.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' E' ' 41' ' ' CYS . 17.0 mm -64.6 -42.85 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 78.0 m -58.95 -47.49 84.9 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 123.925 0.765 . . . . 0.0 109.534 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.4 -40.12 96.34 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.621 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD11 HD13 ' E' ' 48' ' ' ILE . 9.7 tp -65.2 -50.56 65.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.428 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 47' ' ' ILE . 3.0 mp -51.94 -41.04 61.73 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 119.059 0.845 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' VAL . 76.8 mt -62.65 -43.75 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.89 -39.7 93.94 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.433 0.458 . . . . 0.0 110.261 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 44' ' ' LEU . 68.2 mt -62.27 -44.37 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.605 HD13 HD11 ' B' ' 43' ' ' LEU . 45.3 mt -65.43 -42.18 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.276 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 45' ' ' ILE . 40.1 t -59.98 -46.45 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.67 0.606 . . . . 0.0 109.598 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.63 -50.25 67.87 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.2 -39.53 56.71 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 124.166 0.916 . . . . 0.0 110.435 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.543 0.681 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.601 178.621 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -38.94 64.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.931 0.492 . . . . 0.0 110.481 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -62.58 -41.08 98.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.326 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.31 -43.16 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -55.16 -49.35 72.07 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.257 0.973 . . . . 0.0 109.472 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.63 -41.07 93.09 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.204 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.8 tm? -60.49 -42.1 95.64 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.694 0.621 . . . . 0.0 110.185 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.3 -46.03 90.59 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.805 0.691 . . . . 0.0 109.348 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.07 -44.83 95.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.895 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -64.3 -39.96 94.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.951 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.06 95.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.014 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.37 -43.21 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.945 0.778 . . . . 0.0 109.085 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' B' ' 14' ' ' ARG . 52.3 ttp180 -60.4 -22.17 63.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.657 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER -97.56 -39.59 9.05 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 0.0 110.265 179.142 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 103.49 0.71 Allowed 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.021 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.99 -46.92 82.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.457 ' H ' HD13 ' B' ' 18' ' ' ILE . 0.2 OUTLIER -71.72 -23.96 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.082 179.192 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.73 150.45 47.3 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.454 0.471 . . . . 0.0 110.195 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtp -28.77 129.32 0.22 Allowed Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.365 1.466 . . . . 0.0 114.873 -177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.95 -12.56 19.26 Favored 'Trans proline' 0 N--CA 1.516 2.796 0 C-N-CA 122.984 2.456 . . . . 0.0 111.698 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -56.82 -24.67 52.59 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.364 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.56 -42.36 87.72 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.88 81.14 7.62 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -64.14 163.02 13.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.738 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.42 -30.68 71.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -75.15 -54.11 7.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -55.45 -30.16 60.02 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.298 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.99 77.11 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.194 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -53.79 -50.33 66.31 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp -61.97 -43.87 97.92 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.62 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -62.68 -52.2 64.25 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.829 0.705 . . . . 0.0 111.563 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 37' ' ' LEU . 64.0 mt -67.63 -45.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.536 0.523 . . . . 0.0 111.042 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -60.5 -43.14 97.34 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' B' ' 39' ' ' LEU . 34.2 t80 -58.75 -43.71 90.34 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.17 -50.33 68.56 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 123.844 0.715 . . . . 0.0 110.475 178.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 13.8 mt -59.23 -46.5 88.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.31 -44.1 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.408 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' B' ' 35' ' ' PHE . 24.0 mt -63.23 -42.87 99.29 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.677 0.611 . . . . 0.0 109.714 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 44' ' ' LEU . 21.1 mm -63.0 -44.5 99.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.3 m -58.4 -47.92 82.33 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.94 -39.12 93.66 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.368 1.042 . . . . 0.0 109.744 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.605 HD11 HD13 ' A' ' 48' ' ' ILE . 14.2 tp -73.27 -28.14 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.915 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.95 -41.49 86.83 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.451 ' O ' HG23 ' B' ' 49' ' ' VAL . 77.6 mt -62.89 -42.9 98.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.899 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.8 m -63.17 -41.71 99.26 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.46 -43.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.6 HD13 HD11 ' C' ' 43' ' ' LEU . 46.7 mt -64.75 -43.06 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 124.308 1.005 . . . . 0.0 110.838 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 45' ' ' ILE . 41.6 t -61.59 -45.07 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -72.85 -26.83 61.61 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.858 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.35 -40.26 74.19 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.169 179.784 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -53.56 -39.03 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.247 0.546 . . . . 0.0 110.471 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.44 -41.33 98.65 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.528 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.94 -43.7 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.838 0.711 . . . . 0.0 109.211 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -54.37 -49.34 70.05 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.255 0.972 . . . . 0.0 109.403 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.16 -41.11 90.82 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.474 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.8 tm? -60.19 -42.36 94.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.58 0.55 . . . . 0.0 110.212 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -62.1 -45.9 91.43 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.998 0.811 . . . . 0.0 109.292 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.28 -44.34 96.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.892 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -64.39 -39.95 94.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.845 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.9 95.53 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.859 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.37 -43.29 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 124.092 0.87 . . . . 0.0 108.831 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.425 HH21 ' NH2' ' C' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -22.05 63.28 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.643 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.425 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -97.75 -39.42 9.06 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.899 0.749 . . . . 0.0 110.224 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.92 103.63 0.75 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.921 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 19.8 m -63.95 -46.82 82.99 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.469 HD13 ' H ' ' C' ' 18' ' ' ILE . 0.2 OUTLIER -71.76 -23.76 22.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.055 179.248 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.07 150.59 47.84 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.214 0.321 . . . . 0.0 110.247 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 75.7 mtp -28.75 129.28 0.22 Allowed Pre-proline 0 N--CA 1.483 1.19 0 O-C-N 125.143 1.527 . . . . 0.0 114.673 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.06 -12.35 18.88 Favored 'Trans proline' 0 N--CA 1.515 2.771 0 C-N-CA 122.907 2.405 . . . . 0.0 111.789 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -57.01 -24.07 50.9 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.716 0.807 . . . . 0.0 110.43 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -59.02 -42.78 90.99 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 80.65 7.96 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -63.76 163.07 12.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.922 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.41 -31.0 71.62 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.917 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -75.0 -53.44 8.92 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.02 -30.49 61.93 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.252 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -33.45 75.9 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.18 177.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -54.06 -50.53 66.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.83 -43.79 98.14 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.844 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -62.53 -52.56 62.96 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 111.63 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 63.9 mt -67.69 -44.82 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.209 -0.424 . . . . 0.0 110.877 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -60.62 -42.73 97.45 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.317 0.386 . . . . 0.0 110.03 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 33.1 t80 -58.33 -43.71 88.37 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.15 -51.7 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.762 0.663 . . . . 0.0 110.042 179.007 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' D' ' 33' ' ' ILE . 13.4 mt -57.35 -45.71 84.08 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.398 0.618 . . . . 0.0 110.171 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.69 -42.9 93.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.971 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 27.4 mt -63.52 -43.29 97.58 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.71 -44.49 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.9 0.75 . . . . 0.0 109.278 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 76.1 m -59.07 -46.53 88.02 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 123.715 0.634 . . . . 0.0 110.029 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -38.58 91.58 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.762 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.6 HD11 HD13 ' B' ' 48' ' ' ILE . 14.0 tp -73.49 -28.95 62.2 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.868 0.73 . . . . 0.0 112.172 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.23 -41.73 89.65 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.463 ' O ' HG23 ' C' ' 49' ' ' VAL . 77.9 mt -62.32 -43.13 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.661 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.4 -41.54 98.76 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.676 0.61 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.45 -43.94 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.59 HD13 HD11 ' D' ' 43' ' ' LEU . 47.4 mt -65.17 -42.88 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 124.144 0.902 . . . . 0.0 110.947 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 45' ' ' ILE . 41.0 t -61.67 -45.07 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -72.57 -27.91 62.49 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.73 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -69.45 -40.39 77.22 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.542 0.648 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.21 179.858 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -53.17 -39.2 63.43 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.978 0.511 . . . . 0.0 110.559 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.37 -41.44 98.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.68 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.04 -44.18 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 124.131 0.894 . . . . 0.0 109.397 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -53.78 -49.31 68.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.164 0.915 . . . . 0.0 109.45 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.87 -40.82 92.01 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.062 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -60.26 -42.42 95.32 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.55 0.531 . . . . 0.0 110.175 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.87 -45.99 91.36 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -62.11 -44.7 96.06 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.822 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -64.43 -40.2 95.29 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.758 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.07 95.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.731 0.644 . . . . 0.0 109.948 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.45 -43.23 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.167 0.917 . . . . 0.0 108.86 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.422 HH21 ' NH2' ' D' ' 14' ' ' ARG . 52.3 ttp180 -60.34 -22.14 62.91 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.674 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.422 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER -97.72 -39.3 9.13 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.89 0.744 . . . . 0.0 110.323 179.074 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 103.54 0.73 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.948 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -63.97 -46.92 82.48 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.457 ' H ' HD13 ' D' ' 18' ' ' ILE . 0.2 OUTLIER -71.51 -23.98 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.082 179.105 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.81 150.23 47.94 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.361 0.413 . . . . 0.0 109.904 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 76.0 mtp -28.73 129.4 0.22 Allowed Pre-proline 0 N--CA 1.482 1.157 0 C-N-CA 125.326 1.451 . . . . 0.0 114.875 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.83 -12.73 19.41 Favored 'Trans proline' 0 N--CA 1.515 2.791 0 C-N-CA 122.82 2.347 . . . . 0.0 111.745 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -56.73 -24.21 47.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.663 0.785 . . . . 0.0 110.327 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.96 -42.49 90.04 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.2 80.47 8.27 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -64.64 161.42 17.73 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.885 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -60.56 -31.59 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.503 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -74.64 -52.96 10.27 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.65 -30.89 63.83 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.223 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.461 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -54.17 -50.69 66.44 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.96 -43.75 98.19 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 124.798 1.311 . . . . 0.0 110.887 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.79 -52.55 62.76 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 123.937 0.773 . . . . 0.0 111.653 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.9 mt -67.54 -45.01 86.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.954 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -60.7 -42.93 98.16 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -58.22 -43.76 87.86 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.159 0.912 . . . . 0.0 109.382 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.74 -52.08 62.05 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.227 0.329 . . . . 0.0 110.15 178.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.8 mt -58.7 -45.04 90.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.8 -44.16 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 CA-C-N 113.515 -1.675 . . . . 0.0 108.49 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.3 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 123.887 0.742 . . . . 0.0 110.361 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.68 -43.99 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.2 m -57.86 -46.77 84.33 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 123.92 0.762 . . . . 0.0 109.943 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.37 -38.11 89.86 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.399 1.062 . . . . 0.0 109.458 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.59 HD11 HD13 ' C' ' 48' ' ' ILE . 14.2 tp -74.62 -29.11 61.16 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.003 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' E' ' 40' ' ' ILE . 3.2 mp -65.95 -41.4 91.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.46 ' O ' HG23 ' D' ' 49' ' ' VAL . 75.3 mt -62.38 -43.24 97.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 108.792 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.65 -41.59 98.2 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.749 0.656 . . . . 0.0 109.656 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.37 -43.86 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.598 HD13 HD11 ' E' ' 43' ' ' LEU . 47.5 mt -65.13 -43.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.823 0.849 . . . . 0.0 110.835 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 45' ' ' ILE . 40.7 t -61.5 -45.18 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 97.2 mmm -72.03 -29.0 63.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 tp -68.66 -40.38 80.22 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.213 -0.816 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.172 179.709 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.56 -39.0 64.42 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.854 0.461 . . . . 0.0 110.587 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.6 -41.0 98.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.501 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.18 -43.15 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 124.019 0.824 . . . . 0.0 109.332 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -55.24 -49.29 72.4 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.187 0.93 . . . . 0.0 109.314 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.65 -41.24 92.82 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.101 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.499 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.9 tm? -60.36 -42.42 95.71 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.638 0.586 . . . . 0.0 110.124 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.27 -45.89 91.24 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.23 -44.6 96.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.843 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 57.4 m -64.39 -40.08 95.11 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.688 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.98 95.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.877 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.35 -43.18 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.98 0.8 . . . . 0.0 108.915 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' E' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -21.92 63.16 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.655 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER -97.82 -39.41 9.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.837 0.711 . . . . 0.0 110.211 179.199 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 103.48 0.75 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.043 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.85 -47.04 82.34 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.471 HD13 ' H ' ' E' ' 18' ' ' ILE . 0.2 OUTLIER -71.47 -23.87 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.194 179.064 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.97 150.35 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.324 0.39 . . . . 0.0 110.097 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 76.0 mtp -28.71 129.73 0.22 Allowed Pre-proline 0 N--CA 1.481 1.111 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.42 -11.97 18.72 Favored 'Trans proline' 0 N--CA 1.516 2.832 0 C-N-CA 122.805 2.336 . . . . 0.0 111.911 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -57.44 -24.27 54.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.741 0.816 . . . . 0.0 110.403 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.72 -42.41 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.49 80.24 8.13 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -63.79 161.83 14.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.821 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.33 -31.8 71.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -73.89 -52.71 12.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -30.71 63.95 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.265 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.82 73.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.392 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -54.1 -50.61 66.46 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp -61.61 -43.93 97.95 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.679 1.237 . . . . 0.0 110.653 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.32 -52.41 63.77 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.202 0.939 . . . . 0.0 111.819 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.564 HG23 ' CD1' ' D' ' 37' ' ' LEU . 66.2 mt -67.95 -44.51 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.03 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -60.29 -43.07 96.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.579 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.2 t80 -60.04 -43.6 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 124.157 0.91 . . . . 0.0 109.124 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -62.04 -53.89 49.16 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.777 0.673 . . . . 0.0 109.831 178.434 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 33' ' ' ILE . 7.5 mt -52.45 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.372 1.574 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -31.19 -47.06 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 O-C-N 124.617 1.198 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.579 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 28.4 mt -62.84 -45.86 90.63 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 117.478 0.126 . . . . 0.0 111.192 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' E' ' 37' ' ' LEU . 11.1 mm -61.98 -44.05 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 60.3 m -58.17 -46.64 85.39 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.833 0.708 . . . . 0.0 109.92 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.01 -37.43 87.38 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.755 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.598 HD11 HD13 ' D' ' 48' ' ' ILE . 14.2 tp -73.89 -29.07 61.87 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.102 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 40' ' ' ILE . 3.2 mp -66.01 -41.29 91.21 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.457 ' O ' HG23 ' E' ' 49' ' ' VAL . 79.9 mt -62.72 -42.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.731 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.7 m -63.59 -41.37 98.35 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.497 0.498 . . . . 0.0 109.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt -62.35 -43.95 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.586 HD13 HD11 ' A' ' 43' ' ' LEU . 47.4 mt -65.44 -42.88 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 124.154 0.909 . . . . 0.0 111.049 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.457 HG23 ' O ' ' E' ' 45' ' ' ILE . 41.2 t -61.33 -45.19 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 97.6 mmm -72.26 -28.43 63.12 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.695 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 tp -69.23 -40.8 77.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 CA--C 1.543 0.697 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.264 179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mtt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.86 -36.89 77.83 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.65 -40.98 96.4 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.626 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.89 -44.64 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.65 -42.12 99.43 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.012 0.82 . . . . 0.0 109.093 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.42 -39.99 95.09 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.119 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -42.62 99.21 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.895 0.747 . . . . 0.0 109.074 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.57 -46.46 88.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.83 -41.27 99.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.034 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -65.18 -38.24 89.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.157 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.86 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.535 0.522 . . . . 0.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.8 mt -65.17 -43.11 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.0 ttp180 -60.49 -41.58 94.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.611 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.421 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -64.7 -46.8 80.81 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.648 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.9 61.45 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.927 0.767 . . . . 0.0 110.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -66.43 -36.26 82.35 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.041 0.213 . . . . 0.0 110.456 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.96 -177.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 123.937 0.773 . . . . 0.0 109.19 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 40.22 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.545 1.138 . . . . 0.0 113.2 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.425 ' H ' ' HD2' ' A' ' 21' ' ' PRO . 8.5 mmt -134.24 -65.89 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HD2' ' H ' ' A' ' 20' ' ' MET . 55.2 Cg_endo -69.39 -23.38 32.54 Favored 'Trans proline' 0 N--CA 1.506 2.261 0 C-N-CA 121.743 1.629 . . . . 0.0 109.955 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.02 -12.46 60.63 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.374 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.66 83.47 0.62 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' B' ' 28' ' ' LEU . . . -76.55 178.12 6.91 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.406 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.446 HH22 ' HE ' ' E' ' 25' ' ' ARG . 39.1 tpt85 -69.75 115.0 8.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 64.07 44.62 4.5 Favored 'General case' 0 C--O 1.243 0.733 0 O-C-N 125.68 1.863 . . . . 0.0 107.881 -175.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.15 -32.11 1.7 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 111.913 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.681 ' HB3' ' HB1' ' E' ' 24' ' ' ALA . 3.3 mm? -63.15 -54.66 34.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.034 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -67.02 -38.88 86.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 123.69 0.619 . . . . 0.0 110.603 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.83 -46.15 90.15 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 123.856 0.723 . . . . 0.0 109.134 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.63 -42.71 97.45 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.417 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -71.94 -59.43 2.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 HD11 ' E' ' 37' ' ' LEU . 71.8 mt -64.59 -45.57 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.106 -176.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.79 -41.42 97.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.888 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 43.9 t80 -57.92 -44.75 87.03 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.347 0.405 . . . . 0.0 110.004 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.29 -51.75 58.68 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 178.376 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD11 HG23 ' B' ' 33' ' ' ILE . 22.1 mt -56.41 -46.43 80.18 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -57.38 -44.11 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 125.487 1.742 . . . . 0.0 109.117 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 27.8 mt -61.2 -42.57 98.82 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' E' ' 41' ' ' CYS . 3.3 mm -64.65 -42.9 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 124.151 0.907 . . . . 0.0 109.102 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 83.8 m -56.82 -50.35 72.64 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.955 0.784 . . . . 0.0 109.275 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 45' ' ' ILE . 60.5 mt -62.86 -41.0 99.2 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 124.363 1.039 . . . . 0.0 110.606 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.3 tp -72.79 -24.09 60.88 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.282 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 40' ' ' ILE . 1.8 mt -75.74 -35.76 60.11 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 42' ' ' LEU . 54.9 mt -61.91 -41.68 91.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -42.42 96.37 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.541 HG13 HD11 ' E' ' 48' ' ' ILE . 81.2 mt -64.7 -43.28 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.518 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.538 HD11 HG13 ' B' ' 47' ' ' ILE . 2.6 mm -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.406 1.066 . . . . 0.0 111.291 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 45' ' ' ILE . 41.8 t -63.47 -45.32 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.72 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.47 -49.46 71.33 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.747 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' B' ' 50' ' ' MET . 9.4 tt -54.71 -43.79 72.9 Favored 'General case' 0 C--O 1.251 1.164 0 C-N-CA 123.84 0.856 . . . . 0.0 109.314 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.368 1.392 0 C-N-CA 123.817 0.847 . . . . 0.0 110.791 178.209 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.15 -37.55 72.24 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.59 -41.35 96.3 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.988 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.45 -44.37 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.09 -42.51 99.28 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.88 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.987 0.805 . . . . 0.0 109.238 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.418 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.061 0.851 . . . . 0.0 108.938 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -62.45 -45.99 90.55 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.31 -41.71 98.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.983 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -64.63 -38.54 91.35 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.299 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.87 94.81 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.4 -42.9 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.43 -41.62 94.38 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.619 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -64.53 -46.78 81.38 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.638 178.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -25.76 61.3 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 124.068 0.855 . . . . 0.0 110.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.1 p -66.68 -35.92 81.3 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.157 0.285 . . . . 0.0 110.448 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -98.1 -177.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 124.024 0.827 . . . . 0.0 109.32 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 40.43 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.539 1.136 . . . . 0.0 113.163 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.422 ' H ' ' HD2' ' B' ' 21' ' ' PRO . 8.6 mmt -133.71 -66.09 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' H ' ' B' ' 20' ' ' MET . 55.9 Cg_endo -69.4 -23.35 32.55 Favored 'Trans proline' 0 N--CA 1.507 2.271 0 C-N-CA 121.796 1.664 . . . . 0.0 109.976 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.27 -10.72 59.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.265 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -73.09 79.69 1.23 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' C' ' 28' ' ' LEU . . . -74.63 175.76 7.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.926 -177.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.511 ' HE ' HH22 ' C' ' 25' ' ' ARG . 42.4 tpt85 -70.92 118.72 14.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.015 0.822 . . . . 0.0 108.873 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 69.27 39.13 1.73 Allowed 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.376 2.298 . . . . 0.0 107.897 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -42.48 -36.35 1.3 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 3.2 mm? -64.66 -56.92 10.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.665 0.603 . . . . 0.0 110.351 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.39 -38.28 90.47 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.647 0.592 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -60.76 -45.87 92.65 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.7 tp -61.0 -43.33 99.03 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.276 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -72.95 -58.95 2.95 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.57 HG23 HD11 ' A' ' 37' ' ' LEU . 68.5 mt -64.57 -45.71 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.88 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' B' ' 37' ' ' LEU . 74.5 m-20 -61.61 -40.94 96.62 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.613 0.642 . . . . 0.0 109.901 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 48.4 t80 -58.84 -45.28 90.42 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.566 0.541 . . . . 0.0 109.588 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -63.26 -53.93 45.27 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.565 0.541 . . . . 0.0 109.89 178.256 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.58 HD11 HG23 ' C' ' 33' ' ' ILE . 16.4 mt -49.78 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.368 1.398 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.5 mt -33.54 -45.4 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 O-C-N 124.93 1.394 . . . . 0.0 111.241 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.1 mt -61.78 -45.3 94.46 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.561 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 mm -62.31 -42.31 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 38.4 m -57.21 -49.11 77.03 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.159 0.912 . . . . 0.0 109.319 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.9 mt -63.23 -41.14 99.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.357 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.4 tp -71.85 -25.0 61.79 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 123.563 0.539 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.467 ' HB3' HD23 ' C' ' 43' ' ' LEU . 1.9 mt -74.57 -36.94 63.08 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' B' ' 42' ' ' LEU . 56.8 mt -62.34 -40.94 89.76 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.59 -41.86 98.03 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.538 HG13 HD11 ' A' ' 48' ' ' ILE . 71.6 mt -64.0 -43.14 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.496 HD11 HG13 ' C' ' 47' ' ' ILE . 2.1 mm -62.45 -45.35 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 0.0 110.237 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.54 -45.32 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.69 0.619 . . . . 0.0 109.467 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.446 ' HB3' HD21 ' A' ' 51' ' ' LEU . 87.9 mmm -68.3 -27.16 66.06 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.983 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' C' ' 50' ' ' MET . 9.1 tt -74.19 -42.65 59.49 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 CA--C 1.545 0.77 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.745 179.099 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -58.51 -37.38 75.49 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.6 -41.59 96.13 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.813 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.15 -44.36 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.755 0.66 . . . . 0.0 109.248 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -62.64 -42.21 99.47 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.971 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.76 -39.14 93.25 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.937 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.444 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -62.55 -41.73 99.08 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.875 0.734 . . . . 0.0 109.098 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -62.57 -46.71 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -63.47 -40.55 97.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.059 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.89 -40.61 96.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.86 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.64 91.4 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.722 0.639 . . . . 0.0 110.125 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.83 -43.13 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.534 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -60.78 -41.05 94.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.545 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.534 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.6 OUTLIER -64.52 -46.74 81.61 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.99 -25.91 61.68 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.886 0.741 . . . . 0.0 110.578 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 52.3 p -66.49 -36.1 81.91 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.291 0.37 . . . . 0.0 110.379 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.95 -177.73 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 123.819 0.699 . . . . 0.0 109.2 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 40.33 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.46 1.104 . . . . 0.0 113.287 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.411 ' H ' ' HD2' ' C' ' 21' ' ' PRO . 8.6 mmt -133.64 -66.28 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.411 ' HD2' ' H ' ' C' ' 20' ' ' MET . 55.3 Cg_endo -68.99 -23.45 34.31 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 121.938 1.759 . . . . 0.0 109.86 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.07 -12.49 60.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.441 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.88 82.92 0.65 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' D' ' 28' ' ' LEU . . . -75.44 176.45 7.51 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.615 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.511 HH22 ' HE ' ' B' ' 25' ' ' ARG . 21.0 tpt85 -69.64 114.46 7.87 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 66.33 44.94 2.33 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.894 1.371 . . . . 0.0 108.322 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -45.03 -33.31 2.02 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.392 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.553 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 2.9 mm? -63.26 -58.58 6.69 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 123.84 0.712 . . . . 0.0 109.953 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.56 -38.8 92.51 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 122.63 0.372 . . . . 0.0 110.538 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.08 -45.04 96.36 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 123.911 0.757 . . . . 0.0 109.305 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.39 -45.02 95.04 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.59 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.93 -57.26 4.75 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.58 HG23 HD11 ' B' ' 37' ' ' LEU . 71.7 mt -65.29 -45.13 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 118.616 -0.706 . . . . 0.0 111.643 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.66 -41.28 97.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.888 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 49.9 t80 -58.08 -44.86 87.81 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 123.708 0.63 . . . . 0.0 109.564 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.16 -58.74 6.21 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.146 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 16.6 mt -45.61 -71.82 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -35.62 -45.1 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.909 1.381 . . . . 0.0 111.098 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.8 mt -63.55 -45.51 90.23 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.561 HG22 HD12 ' C' ' 44' ' ' LEU . 3.3 mm -60.01 -42.81 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 29.8 m -59.1 -48.94 79.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.904 0.752 . . . . 0.0 109.695 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' C' ' 45' ' ' ILE . 53.7 mt -62.91 -39.84 95.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.467 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.6 tp -73.92 -27.05 60.83 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' D' ' 40' ' ' ILE . 2.7 mt -72.71 -36.13 67.76 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 42' ' ' LEU . 55.9 mt -62.92 -41.26 92.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.81 -40.61 95.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.496 HG13 HD11 ' B' ' 48' ' ' ILE . 73.7 mt -64.11 -43.02 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.443 HD11 HG13 ' D' ' 47' ' ' ILE . 2.9 mm -62.58 -45.14 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 123.941 0.775 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.91 -45.53 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.425 ' HB3' HD21 ' B' ' 51' ' ' LEU . 87.5 mmm -68.06 -29.58 68.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.031 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.29 -41.8 69.52 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.624 178.789 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.65 -38.22 77.65 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.72 -41.21 96.14 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.818 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.57 -45.05 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 124.076 0.86 . . . . 0.0 109.392 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.35 -41.33 98.85 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.257 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.29 -39.85 94.32 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.26 -42.35 99.25 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.48 -45.98 90.54 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.707 0.629 . . . . 0.0 109.31 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -63.55 -41.22 98.45 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.929 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -65.06 -38.26 90.23 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.223 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -43.03 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.427 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.43 -41.7 94.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.625 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.427 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.4 OUTLIER -64.5 -46.79 81.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.662 178.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -26.01 61.72 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.925 0.766 . . . . 0.0 110.527 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -66.32 -36.22 82.37 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.209 0.318 . . . . 0.0 110.475 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.77 -177.42 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 124.049 0.843 . . . . 0.0 109.157 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 40.04 28.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.6 1.16 . . . . 0.0 113.17 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.418 ' H ' ' HD2' ' D' ' 21' ' ' PRO . 8.6 mmt -134.38 -65.8 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' H ' ' D' ' 20' ' ' MET . 55.4 Cg_endo -69.39 -23.73 32.15 Favored 'Trans proline' 0 N--CA 1.504 2.123 0 C-N-CA 121.815 1.677 . . . . 0.0 109.939 177.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -73.34 -12.73 60.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.237 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.98 82.83 0.67 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' E' ' 28' ' ' LEU . . . -76.58 176.35 8.43 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.907 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.497 HH22 ' HE ' ' C' ' 25' ' ' ARG . 47.4 tpt85 -69.71 116.73 10.44 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 66.58 43.31 2.54 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.233 -1.349 . . . . 0.0 107.514 -174.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -45.46 -32.68 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.589 ' HB3' ' HB1' ' C' ' 24' ' ' ALA . 3.2 mm? -62.93 -58.55 6.98 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.807 0.692 . . . . 0.0 109.702 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -63.31 -38.92 93.06 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.382 0.426 . . . . 0.0 111.281 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.76 -44.34 96.85 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.317 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.79 -43.74 98.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.108 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -71.64 -60.04 2.44 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' C' ' 37' ' ' LEU . 71.6 mt -64.4 -45.5 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.067 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.7 -41.57 97.77 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.052 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 44.9 t80 -56.71 -44.47 81.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -54.9 23.93 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.979 0.799 . . . . 0.0 110.266 178.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' E' ' 33' ' ' ILE . 29.2 mt -53.88 -46.18 71.27 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.727 0.642 . . . . 0.0 109.443 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.01 -42.59 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 125.174 1.546 . . . . 0.0 108.772 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.2 mt -62.24 -43.97 97.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.393 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.757 HD11 ' SG ' ' C' ' 41' ' ' CYS . 39.5 mm -63.77 -42.85 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.327 1.017 . . . . 0.0 110.011 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 70.8 m -57.6 -48.67 78.77 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.008 0.818 . . . . 0.0 108.81 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.0 mt -62.75 -41.36 99.17 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.898 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.3 tp -66.14 -50.88 62.45 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.569 HD13 HG23 ' E' ' 40' ' ' ILE . 6.9 mt -52.18 -36.58 52.17 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.623 0.369 . . . . 0.0 110.409 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.4 mt -62.7 -42.62 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.28 -37.95 89.32 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.2 mt -63.89 -43.13 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.5 HD11 HG13 ' E' ' 47' ' ' ILE . 2.0 mm -63.03 -44.49 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 124.649 1.218 . . . . 0.0 110.448 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.36 -44.47 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.86 -31.28 70.98 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.417 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.73 -42.3 70.73 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.351 0.673 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.605 179.027 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.27 -37.87 78.71 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.318 1.011 . . . . 0.0 109.787 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.55 -44.98 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.374 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.24 -41.6 99.11 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.223 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -62.17 -39.87 94.12 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.422 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.25 -42.3 99.2 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.322 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.74 -46.3 88.71 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -63.17 -40.86 98.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.101 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 62.2 m -65.57 -37.9 88.0 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.052 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.45 92.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.41 -42.72 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.42 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.9 ttp180 -61.0 -41.76 97.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.634 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.42 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER -64.48 -46.93 80.91 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.682 178.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.96 61.91 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.177 0.923 . . . . 0.0 110.548 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 57.2 p -66.42 -36.02 81.76 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.05 0.219 . . . . 0.0 110.418 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.76 -179.54 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 123.874 0.734 . . . . 0.0 109.379 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 40.2 30.43 0.07 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.34 1.056 . . . . 0.0 113.079 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.411 ' H ' ' HD2' ' E' ' 21' ' ' PRO . 8.2 mmt -134.97 -65.66 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.411 ' HD2' ' H ' ' E' ' 20' ' ' MET . 55.2 Cg_endo -69.93 -23.33 30.14 Favored 'Trans proline' 0 N--CA 1.505 2.194 0 C-N-CA 121.586 1.524 . . . . 0.0 109.563 176.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.14 -11.21 60.45 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.321 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.82 76.45 1.61 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.001 0.905 . . . . 0.0 109.004 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 28' ' ' LEU . . . -69.54 177.45 2.93 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 113.989 -1.46 . . . . 0.0 112.617 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.495 HH11 ' N ' ' E' ' 26' ' ' GLN . 52.4 tpt85 -73.09 123.03 22.76 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.495 ' N ' HH11 ' E' ' 25' ' ' ARG . 0.0 OUTLIER 66.92 35.14 4.93 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.813 -177.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -40.05 -36.52 0.49 Allowed 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.494 -1.23 . . . . 0.0 114.218 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.596 ' HB3' ' HB1' ' D' ' 24' ' ' ALA . 3.5 mm? -61.75 -55.73 27.11 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.423 0.452 . . . . 0.0 110.245 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -66.94 -35.69 80.56 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.634 0.584 . . . . 0.0 110.975 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.77 -46.28 89.66 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.62 -41.85 98.05 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.058 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.26 -60.95 2.0 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -64.03 -46.24 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.155 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -60.54 -41.81 95.23 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.382 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 38.5 t80 -57.88 -44.79 86.89 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.477 0.485 . . . . 0.0 110.141 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -67.63 -40.24 84.61 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.375 0.422 . . . . 0.0 111.848 179.127 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 33' ' ' ILE . 30.2 mt -65.21 -46.94 78.66 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.769 0.795 . . . . 0.0 109.773 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.4 -42.1 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.944 -1.934 . . . . 0.0 109.181 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.528 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 20.6 mt -61.01 -45.11 96.15 Favored 'General case' 0 C--N 1.347 0.47 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.569 HG23 HD13 ' D' ' 44' ' ' LEU . 62.1 mt -67.48 -40.67 84.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 O-C-N 124.121 0.888 . . . . 0.0 110.221 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 79.3 m -56.09 -49.0 75.06 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.484 ' HA ' HD12 ' E' ' 45' ' ' ILE . 59.3 mt -62.9 -41.45 99.44 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.349 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.0 tp -64.56 -50.69 66.26 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' E' ' 47' ' ' ILE . 3.1 mt -53.84 -34.77 60.3 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.147 0.43 . . . . 0.0 110.521 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' E' ' 42' ' ' LEU . 57.7 mt -62.37 -42.13 94.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.31 -38.36 90.77 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.5 mt -63.85 -43.98 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.541 HD11 HG13 ' A' ' 47' ' ' ILE . 1.8 mm -63.72 -44.65 98.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.432 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.219 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.443 HG23 ' O ' ' E' ' 45' ' ' ILE . 44.7 t -62.89 -46.19 96.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.566 0.541 . . . . 0.0 109.931 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.72 -49.74 73.87 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.72 -41.45 73.87 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.768 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.306 178.097 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.24 -38.01 89.5 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.757 0.661 . . . . 0.0 109.286 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -65.07 -42.18 94.41 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 124.449 1.093 . . . . 0.0 109.719 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.23 -44.28 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 124.055 0.847 . . . . 0.0 108.938 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -62.2 -42.48 99.33 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 124.279 0.987 . . . . 0.0 109.179 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -62.83 -40.05 96.22 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.04 0.837 . . . . 0.0 109.156 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.84 -42.65 99.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.452 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.7 -46.36 88.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.59 -41.43 98.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.117 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.76 -40.76 95.82 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.058 0.849 . . . . 0.0 110.306 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.84 96.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.61 -42.26 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.959 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.0 ttp180 -60.64 -43.44 97.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.917 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.79 -44.32 93.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.855 179.118 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.5 80.9 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.858 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -147.95 140.34 24.41 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.979 0.419 . . . . 0.0 111.444 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.28 117.49 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.326 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -85.4 147.83 26.3 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.135 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ttt -170.76 -59.17 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.134 0 O-C-N 123.922 0.764 . . . . 0.0 110.5 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -75.14 145.68 31.25 Favored 'Trans proline' 0 N--CA 1.509 2.406 0 C-N-CA 122.392 2.061 . . . . 0.0 113.026 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -77.02 -44.87 29.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.901 0.751 . . . . 0.0 111.063 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.55 -160.67 1.08 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.644 0.59 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.16 -149.05 0.2 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 123.388 0.675 . . . . 0.0 110.851 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.6 HH11 ' H ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -24.49 -57.43 0.05 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.436 1.494 . . . . 0.0 113.766 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.6 ' H ' HH11 ' A' ' 25' ' ' ARG . 35.5 mt-30 -49.65 -64.02 0.93 Allowed 'General case' 0 N--CA 1.483 1.21 0 O-C-N 123.461 0.475 . . . . 0.0 110.917 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.867 0.729 . . . . 0.0 112.007 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -46.69 89.28 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -39.15 91.39 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.68 0.792 . . . . 0.0 110.44 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -56.62 -46.16 81.09 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.24 -46.03 82.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.898 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.43 -51.37 66.01 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.764 0.665 . . . . 0.0 112.774 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' E' ' 37' ' ' LEU . 60.2 mt -64.69 -44.85 96.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 O-C-N 123.437 0.461 . . . . 0.0 110.327 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -60.61 -44.12 96.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 39' ' ' LEU . 48.0 t80 -58.72 -43.59 90.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.89 0.744 . . . . 0.0 109.931 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -64.92 -53.21 49.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.843 0.715 . . . . 0.0 110.517 179.44 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.5 mt -55.98 -45.19 79.03 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.52 -41.44 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.565 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.6 mt -64.15 -41.77 97.04 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.525 HG23 HD11 ' E' ' 44' ' ' LEU . 36.8 mm -62.37 -44.7 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 68.0 m -57.24 -49.78 74.94 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.609 0.568 . . . . 0.0 109.874 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 mt -62.29 -43.65 98.33 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.354 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 44' ' ' LEU . 12.0 tp -66.82 -48.21 69.64 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.572 0.545 . . . . 0.0 109.771 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.586 HD11 HG23 ' B' ' 40' ' ' ILE . 14.3 mt -51.04 -34.9 31.64 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.508 0.323 . . . . 0.0 110.497 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 49' ' ' VAL . 68.9 mt -62.44 -42.23 94.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.38 -38.78 92.25 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.575 HG13 HD11 ' E' ' 48' ' ' ILE . 96.6 mt -63.99 -43.64 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.514 HD11 HG13 ' B' ' 47' ' ' ILE . 1.6 mm -62.9 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.836 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 45' ' ' ILE . 43.6 t -62.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 123.925 0.766 . . . . 0.0 109.676 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mmm -61.83 -53.01 61.77 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.17 -39.51 69.6 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.071 0.857 . . . . 0.0 110.222 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.274 177.687 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.76 -37.63 87.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.8 -42.22 95.2 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 124.536 1.147 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.28 -44.42 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.021 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.08 -42.33 99.09 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.096 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.66 -40.28 96.56 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 124.058 0.849 . . . . 0.0 109.054 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.42 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -42.73 99.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.3 m -62.67 -46.34 88.61 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.104 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.115 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.83 -40.78 95.73 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.933 0.771 . . . . 0.0 110.283 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.99 96.21 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.31 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.018 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.499 ' HE ' HH12 ' B' ' 14' ' ' ARG . 48.9 ttp180 -60.69 -43.4 97.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.499 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -63.78 -44.35 93.65 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.8 179.043 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.62 81.46 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.802 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -147.83 140.54 24.69 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.943 0.402 . . . . 0.0 111.476 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.36 118.01 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.314 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.86 146.96 26.5 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ttt -169.9 -60.07 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.121 0 O-C-N 123.839 0.712 . . . . 0.0 110.462 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.88 144.9 31.27 Favored 'Trans proline' 0 N--CA 1.509 2.41 0 C-N-CA 122.267 1.978 . . . . 0.0 113.066 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.18 -46.22 35.57 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.829 0.706 . . . . 0.0 110.937 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -135.49 -156.08 0.69 Allowed 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.864 0.728 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.54 -145.05 0.25 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.329 0.651 . . . . 0.0 112.143 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.628 HH11 ' H ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -34.52 -33.26 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -178.02 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.628 ' H ' HH11 ' B' ' 25' ' ' ARG . 40.9 mt-30 -70.17 -63.67 1.04 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.71 -39.39 80.65 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.384 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.54 -47.75 84.16 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.59 -38.92 92.67 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 123.84 0.713 . . . . 0.0 110.522 177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.11 -46.36 82.67 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 123.891 0.745 . . . . 0.0 109.14 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.16 -46.08 82.32 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.199 0.937 . . . . 0.0 110.714 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.22 -51.78 64.9 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.789 0.681 . . . . 0.0 112.734 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' A' ' 37' ' ' LEU . 58.3 mt -65.02 -44.64 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.633 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -60.4 -43.54 96.59 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.544 0.528 . . . . 0.0 109.591 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' B' ' 39' ' ' LEU . 46.1 t80 -60.31 -44.72 95.18 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.062 0.851 . . . . 0.0 110.319 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -66.99 -39.73 87.21 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.847 0.717 . . . . 0.0 111.786 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.612 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.9 mt -66.11 -45.51 80.87 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.124 0.964 . . . . 0.0 109.036 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -56.46 -40.67 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 111.59 -2.55 . . . . 0.0 107.908 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -63.44 -41.9 98.66 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.819 177.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 44' ' ' LEU . 22.5 mm -62.99 -44.93 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 63.8 m -55.98 -49.98 72.1 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 123.001 0.52 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.18 -42.62 99.4 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.2 tp -75.88 -23.77 55.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.048 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.665 HD11 HG23 ' C' ' 40' ' ' ILE . 11.9 mt -70.19 -36.03 74.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.418 ' O ' HG23 ' B' ' 49' ' ' VAL . 70.0 mt -61.64 -41.64 91.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.96 -41.2 99.45 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.514 HG13 HD11 ' A' ' 48' ' ' ILE . 90.2 mt -64.48 -43.18 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.526 HD11 HG13 ' C' ' 47' ' ' ILE . 1.7 mm -62.38 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.293 1.037 . . . . 0.0 110.058 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 45' ' ' ILE . 42.0 t -62.15 -45.23 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.046 0.841 . . . . 0.0 109.593 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mmm -62.12 -52.74 62.65 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -55.3 -38.63 68.9 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.285 0.99 . . . . 0.0 110.275 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.408 177.663 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -63.8 -38.01 89.5 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -41.93 95.02 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.593 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.21 -44.13 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 124.179 0.924 . . . . 0.0 108.892 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.12 -44.33 97.51 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.066 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -62.07 -39.86 93.84 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.995 0.81 . . . . 0.0 109.314 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.442 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -61.73 -43.12 99.46 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -62.87 -46.3 88.54 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.345 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.58 -41.32 98.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.197 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 68.8 m -64.85 -40.8 95.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.163 0.915 . . . . 0.0 110.27 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.93 96.66 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.99 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.76 -43.38 98.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.925 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -63.69 -44.44 93.69 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.798 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.57 81.33 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -148.16 140.41 24.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.039 0.447 . . . . 0.0 111.336 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 pt -143.99 117.26 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.083 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.21 147.34 25.62 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.324 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 9.0 ttt -171.53 -53.67 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.178 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.319 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.43 148.45 42.98 Favored 'Trans proline' 0 N--CA 1.509 2.405 0 C-N-CA 122.454 2.103 . . . . 0.0 112.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -82.83 -44.51 15.39 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.577 0.548 . . . . 0.0 110.018 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -138.28 -164.41 1.62 Allowed 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.895 0.747 . . . . 0.0 109.354 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.26 -151.68 0.2 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.519 0.728 . . . . 0.0 111.375 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.649 HH11 ' H ' ' C' ' 26' ' ' GLN . 0.0 OUTLIER -18.88 -61.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.988 1.715 . . . . 0.0 114.024 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.649 ' H ' HH11 ' C' ' 25' ' ' ARG . 15.1 mt-30 -47.39 -64.92 0.66 Allowed 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.699 0.624 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.58 -41.03 84.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.066 0.854 . . . . 0.0 112.084 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.89 -46.55 90.2 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -38.3 90.11 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.801 0.841 . . . . 0.0 110.727 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.62 -45.78 84.95 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.78 -45.88 80.8 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 124.364 1.04 . . . . 0.0 110.736 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.1 -51.69 65.61 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.612 HG23 ' CD1' ' B' ' 37' ' ' LEU . 59.7 mt -64.84 -44.82 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 123.352 0.408 . . . . 0.0 110.146 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -60.74 -43.38 97.99 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.628 0.58 . . . . 0.0 109.518 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' C' ' 39' ' ' LEU . 50.4 t80 -58.93 -43.83 91.24 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.038 0.836 . . . . 0.0 110.344 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.49 -53.84 41.77 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.658 0.599 . . . . 0.0 110.449 179.099 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.4 mt -55.29 -45.54 76.22 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.641 0.734 . . . . 0.0 109.553 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.9 mt -57.92 -41.1 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.436 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.9 mt -63.97 -41.3 97.59 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.665 HG23 HD11 ' B' ' 44' ' ' LEU . 32.7 mm -62.02 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 68.4 m -57.27 -49.89 74.63 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.66 -41.7 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.681 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -76.17 -24.22 54.78 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.59 0.556 . . . . 0.0 111.773 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.636 HD11 HG23 ' D' ' 40' ' ' ILE . 10.8 mt -69.73 -35.73 75.25 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.97 -41.7 91.95 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.66 -41.15 98.91 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.526 HG13 HD11 ' B' ' 48' ' ' ILE . 91.0 mt -64.39 -43.16 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.51 HD11 HG13 ' D' ' 47' ' ' ILE . 1.6 mm -61.78 -46.48 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.54 -45.34 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.977 0.798 . . . . 0.0 109.378 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.4 -32.03 73.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.921 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 44.8 tp -74.24 -38.87 63.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 CA--C 1.543 0.709 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.47 178.318 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.43 -37.98 87.96 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.92 -42.29 94.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.531 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.97 -44.42 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 124.047 0.842 . . . . 0.0 109.091 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.54 -42.12 99.32 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.195 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.48 -40.05 95.42 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 124.026 0.829 . . . . 0.0 109.215 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.06 -42.59 99.36 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.62 -46.26 89.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.261 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.75 -41.34 99.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.112 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -64.84 -40.71 95.61 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.022 0.826 . . . . 0.0 110.362 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.44 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.49 -42.34 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.907 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.0 ttp180 -60.67 -43.32 97.8 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.068 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -63.87 -44.28 93.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.866 179.077 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.64 81.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.776 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -147.83 140.38 24.57 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.019 0.438 . . . . 0.0 111.316 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.21 117.94 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.243 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -86.02 147.13 26.34 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.126 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.9 ttt -169.99 -59.94 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.117 0 O-C-N 123.832 0.707 . . . . 0.0 110.56 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.92 144.4 30.5 Favored 'Trans proline' 0 N--CA 1.509 2.417 0 C-N-CA 122.265 1.977 . . . . 0.0 112.975 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -74.62 -46.03 41.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.661 0.601 . . . . 0.0 110.784 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -135.39 -155.39 0.64 Allowed 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.667 0.604 . . . . 0.0 109.949 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.04 -145.25 0.28 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.362 0.665 . . . . 0.0 112.169 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.607 HH11 ' H ' ' D' ' 26' ' ' GLN . 0.0 OUTLIER -34.08 -34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.649 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.607 ' H ' HH11 ' D' ' 25' ' ' ARG . 11.0 mt-30 -70.37 -61.47 1.76 Allowed 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.25 -39.37 86.51 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 124.054 0.847 . . . . 0.0 111.261 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -47.25 86.84 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.25 93.37 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.787 0.679 . . . . 0.0 110.547 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.69 -46.01 81.44 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 123.726 0.641 . . . . 0.0 109.371 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.44 -45.86 82.15 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 124.268 0.98 . . . . 0.0 110.748 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -63.37 -51.92 63.87 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.82 0.7 . . . . 0.0 112.86 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' C' ' 37' ' ' LEU . 59.2 mt -64.9 -44.7 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.521 0.513 . . . . 0.0 110.301 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.56 -43.99 96.66 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' D' ' 39' ' ' LEU . 45.9 t80 -58.45 -43.96 89.05 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.745 0.653 . . . . 0.0 110.314 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -53.64 43.71 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.754 0.659 . . . . 0.0 110.715 179.134 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.7 mt -55.82 -45.1 78.41 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.372 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.9 mt -57.65 -41.45 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 108.561 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' D' ' 35' ' ' PHE . 25.9 mt -63.68 -41.54 98.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.671 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.636 HG23 HD11 ' C' ' 44' ' ' LEU . 34.9 mm -62.22 -44.13 98.75 Favored 'Isoleucine or valine' 0 C--N 1.366 1.318 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 66.4 m -56.94 -49.92 74.19 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.86 0.725 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.42 -42.07 99.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.557 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -76.09 -24.1 55.02 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.478 0.486 . . . . 0.0 112.03 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 40' ' ' ILE . 10.8 mt -70.38 -35.35 73.45 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.12 -41.61 91.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.61 -41.12 98.8 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.648 0.593 . . . . 0.0 109.548 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.51 HG13 HD11 ' C' ' 48' ' ' ILE . 90.0 mt -64.32 -43.06 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.504 HD11 HG13 ' E' ' 47' ' ' ILE . 1.3 mm -62.17 -46.32 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.339 1.056 . . . . 0.0 110.137 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.17 -45.03 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -66.31 -31.19 71.84 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.302 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 46.9 tp -74.09 -39.02 63.7 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.455 178.254 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.53 -38.28 89.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.99 -42.05 94.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.436 1.085 . . . . 0.0 109.749 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.13 -44.35 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.084 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.19 -42.46 99.31 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.13 0.894 . . . . 0.0 109.114 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.6 -40.19 96.14 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 124.103 0.877 . . . . 0.0 109.159 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.411 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.56 -46.34 88.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.216 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.77 -40.77 95.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.356 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.9 96.25 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.52 -42.4 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.85 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.0 ttp180 -60.6 -43.38 97.49 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.044 0.84 . . . . 0.0 109.984 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -63.78 -44.3 93.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.831 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.61 81.38 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.779 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -148.19 140.37 24.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.936 0.398 . . . . 0.0 111.503 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.35 117.56 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.26 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -85.6 148.21 26.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.131 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.9 ttt -170.75 -59.23 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.12 0 O-C-N 123.867 0.729 . . . . 0.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.59 145.5 29.57 Favored 'Trans proline' 0 N--CA 1.509 2.429 0 C-N-CA 122.474 2.116 . . . . 0.0 112.93 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -76.03 -45.21 35.53 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.777 0.673 . . . . 0.0 110.85 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.36 -158.27 0.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.802 0.689 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.88 -149.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 0.0 110.771 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.595 HH11 ' H ' ' E' ' 26' ' ' GLN . 0.0 OUTLIER -20.89 -59.83 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.527 1.531 . . . . 0.0 114.236 -179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.595 ' H ' HH11 ' E' ' 25' ' ' ARG . 64.9 mt-30 -49.03 -64.39 0.82 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.286 0.366 . . . . 0.0 111.089 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -59.45 -40.87 88.23 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.971 0.794 . . . . 0.0 112.024 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.06 -46.62 89.92 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -38.72 90.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.585 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -56.58 -45.77 81.15 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 123.928 0.768 . . . . 0.0 108.957 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.7 -45.91 81.01 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.25 0.969 . . . . 0.0 110.826 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -63.52 -51.56 64.94 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.831 0.707 . . . . 0.0 112.795 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.579 HG23 ' CD1' ' D' ' 37' ' ' LEU . 60.1 mt -64.77 -44.78 96.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 O-C-N 123.523 0.514 . . . . 0.0 110.137 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -60.74 -44.03 97.18 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' E' ' 39' ' ' LEU . 49.4 t80 -58.66 -43.87 89.97 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.99 0.806 . . . . 0.0 110.182 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -64.78 -53.6 44.42 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.76 0.663 . . . . 0.0 110.634 179.233 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' A' ' 33' ' ' ILE . 13.2 mt -55.82 -44.88 78.32 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.264 0.554 . . . . 0.0 109.715 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.64 -41.77 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.294 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' E' ' 35' ' ' PHE . 28.9 mt -63.52 -41.64 98.49 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 44' ' ' LEU . 33.8 mm -62.54 -44.05 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 69.8 m -57.83 -49.73 75.69 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.66 0.6 . . . . 0.0 109.459 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.31 -43.61 98.42 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.267 0.979 . . . . 0.0 111.563 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.4 tp -67.29 -48.21 68.33 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.844 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 43' ' ' LEU . 15.9 mt -51.0 -34.36 28.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.542 0.337 . . . . 0.0 110.596 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.432 ' O ' HG23 ' E' ' 49' ' ' VAL . 67.1 mt -62.67 -42.19 95.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.21 -38.69 91.96 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.504 HG13 HD11 ' D' ' 48' ' ' ILE . 96.7 mt -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.575 HD11 HG13 ' A' ' 47' ' ' ILE . 1.4 mm -62.72 -47.1 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.477 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.432 HG23 ' O ' ' E' ' 45' ' ' ILE . 47.4 t -60.4 -45.71 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 123.98 0.8 . . . . 0.0 109.983 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.42 -52.94 62.49 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 123.681 0.613 . . . . 0.0 109.376 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.1 -39.43 69.32 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.172 0.92 . . . . 0.0 110.39 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.38 177.706 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.23 -37.26 74.51 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.25 -43.14 95.82 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.269 0.981 . . . . 0.0 109.524 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.72 -45.34 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.51 -46.33 89.14 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.03 0.831 . . . . 0.0 109.955 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.97 -40.51 97.93 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.419 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.5 tm? -61.77 -42.87 99.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.781 0.676 . . . . 0.0 109.452 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.33 -47.05 85.95 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.56 -43.67 98.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.107 0.88 . . . . 0.0 110.517 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.07 93.17 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.45 0.469 . . . . 0.0 109.747 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.49 -42.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.857 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.38 -44.1 95.96 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 124.119 0.887 . . . . 0.0 109.771 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -66.14 -44.64 83.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.892 179.003 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.965 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m -62.18 -45.64 92.48 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.519 0.512 . . . . 0.0 110.673 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.08 -0.13 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 123.785 0.678 . . . . 0.0 111.256 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -72.44 113.77 9.83 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -164.03 59.19 0.73 Allowed Pre-proline 0 CA--C 1.554 1.103 0 O-C-N 123.877 0.736 . . . . 0.0 109.792 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -58.97 -31.67 96.07 Favored 'Trans proline' 0 N--CA 1.511 2.545 0 C-N-CA 122.746 2.297 . . . . 0.0 111.461 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -66.79 -37.74 85.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.78 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.93 31.12 0.43 Allowed 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.764 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.43 66.42 8.02 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -52.93 173.24 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 112.854 -1.976 . . . . 0.0 115.521 -176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.6 -39.29 22.41 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 112.009 -2.36 . . . . 0.0 106.65 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' B' ' 24' ' ' ALA . 16.6 t30 -65.4 -41.95 93.09 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.906 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.33 -43.08 99.47 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -37.55 85.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.24 177.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -56.45 -45.51 80.78 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.67 -45.46 89.98 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.367 1.042 . . . . 0.0 110.204 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.86 -50.71 69.85 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.214 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' E' ' 37' ' ' LEU . 55.4 mt -65.81 -44.53 92.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.242 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -59.76 -43.7 94.17 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 39' ' ' LEU . 25.9 t80 -59.2 -44.2 92.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.803 0.689 . . . . 0.0 109.854 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -62.9 -50.84 69.28 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 33' ' ' ILE . 11.4 mt -58.88 -45.29 90.58 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 124.15 0.906 . . . . 0.0 109.272 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.52 -43.19 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.671 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.1 mt -62.62 -43.38 98.95 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.45 -44.46 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 77.8 m -57.37 -45.7 84.17 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.74 -37.83 88.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.096 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.12 -52.27 50.1 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.631 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' HA ' HD12 ' A' ' 47' ' ' ILE . 5.4 mp -50.53 -38.95 47.42 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.769 0.713 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . 85.9 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -65.38 -34.98 79.59 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.59 0.556 . . . . 0.0 110.143 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 44' ' ' LEU . 70.7 mt -63.99 -42.24 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.49 HD12 ' HG3' ' B' ' 50' ' ' MET . 23.1 mm -64.58 -42.65 95.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' ILE . 55.5 t -61.56 -42.12 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG3' HD12 ' E' ' 48' ' ' ILE . 73.3 mmm -60.67 -58.49 8.23 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.9 tp -47.66 -40.38 19.67 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 124.092 0.87 . . . . 0.0 110.747 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.385 177.718 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -58.0 -37.09 73.61 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.849 0.357 . . . . 0.0 110.065 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.24 -43.12 95.89 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.487 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.83 -45.36 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.66 -46.14 89.92 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.791 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.24 -40.31 97.08 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.867 0.729 . . . . 0.0 109.389 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.95 -42.73 99.44 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.972 0.795 . . . . 0.0 109.431 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.62 -46.69 87.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -61.65 -43.59 98.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.224 0.953 . . . . 0.0 109.947 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.9 m -64.93 -40.18 94.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 124.166 0.916 . . . . 0.0 110.381 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.95 93.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.542 0.526 . . . . 0.0 109.842 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.75 -42.7 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 124.274 0.984 . . . . 0.0 108.818 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.3 ttp180 -60.58 -43.75 96.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.159 0.912 . . . . 0.0 109.708 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -66.39 -44.63 82.53 Favored 'General case' 0 C--N 1.343 0.324 0 O-C-N 123.892 0.745 . . . . 0.0 109.896 178.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 109.799 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -61.42 -45.63 93.5 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.496 0.497 . . . . 0.0 110.867 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.63 1.11 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.717 0.636 . . . . 0.0 111.211 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -74.48 112.9 11.12 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -163.98 60.66 0.87 Allowed Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 123.992 0.807 . . . . 0.0 109.674 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.05 -31.77 96.23 Favored 'Trans proline' 0 N--CA 1.508 2.366 0 C-N-CA 122.747 2.298 . . . . 0.0 111.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -65.68 -39.09 90.95 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.833 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.11 28.65 0.8 Allowed 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.963 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -58.7 -26.38 63.82 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 47.64 167.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.35 -41.9 11.87 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 110.875 -2.875 . . . . 0.0 108.377 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -64.99 -42.75 94.25 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.52 -42.75 97.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.21 -37.75 86.32 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.837 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -56.5 -44.96 81.21 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.57 -45.44 87.02 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.222 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -62.82 -50.38 71.2 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.899 0.749 . . . . 0.0 112.249 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 37' ' ' LEU . 52.1 mt -65.7 -44.39 93.36 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.317 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -60.0 -43.57 95.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' B' ' 39' ' ' LEU . 26.5 t80 -59.71 -44.25 93.79 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.712 0.633 . . . . 0.0 109.833 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -63.65 -50.35 69.63 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.726 0.641 . . . . 0.0 110.621 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' C' ' 33' ' ' ILE . 11.1 mt -57.78 -46.53 84.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -58.79 -43.42 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.536 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' B' ' 35' ' ' PHE . 22.7 mt -63.24 -42.49 99.23 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' B' ' 44' ' ' LEU . 19.5 mm -63.93 -43.25 97.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.2 m -57.7 -46.96 83.64 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.845 0.716 . . . . 0.0 109.331 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.87 -38.77 92.09 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.369 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.44 -27.91 60.81 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 124.026 0.829 . . . . 0.0 111.633 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' B' ' 40' ' ' ILE . 3.6 mt -67.89 -39.32 83.69 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.88 -42.65 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.74 -36.55 83.37 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 123.699 0.624 . . . . 0.0 109.732 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.427 HG12 HD11 ' A' ' 48' ' ' ILE . 48.1 mt -63.3 -41.84 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.429 HD11 ' CG1' ' C' ' 47' ' ' ILE . 24.9 mm -64.16 -42.58 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 63.1 t -62.79 -43.02 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.49 ' HG3' HD12 ' A' ' 48' ' ' ILE . 81.0 mmm -65.63 -37.55 86.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.166 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -41.45 97.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.247 177.72 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -58.74 -36.7 74.74 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.488 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.77 -45.65 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -58.78 -46.24 87.99 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.272 0.982 . . . . 0.0 109.569 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -63.63 -39.99 95.76 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 124.017 0.823 . . . . 0.0 109.282 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.503 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.5 tm? -62.18 -41.88 98.75 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.977 0.798 . . . . 0.0 109.472 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.92 -47.42 83.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.05 -42.98 99.75 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.081 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -63.4 -42.18 98.77 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.36 1.038 . . . . 0.0 110.228 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.87 90.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.25 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.17 -42.85 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.443 HH21 ' NH2' ' C' ' 14' ' ' ARG . 49.3 ttp180 -60.63 -43.66 97.27 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 124.05 0.844 . . . . 0.0 109.599 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.443 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER -66.17 -44.38 84.21 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.971 178.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.27 96.3 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 123.807 0.692 . . . . 0.0 109.915 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -62.24 -45.77 91.84 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.563 0.539 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -0.08 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 123.751 0.657 . . . . 0.0 111.342 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -72.13 113.65 9.39 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -163.99 59.41 0.76 Allowed Pre-proline 0 CA--C 1.553 1.081 0 O-C-N 123.875 0.734 . . . . 0.0 109.769 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.92 -31.64 95.87 Favored 'Trans proline' 0 N--CA 1.51 2.497 0 C-N-CA 122.913 2.408 . . . . 0.0 111.393 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -66.63 -37.98 85.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.784 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.54 31.06 0.47 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.931 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 65.59 7.3 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -51.87 173.08 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 112.593 -2.094 . . . . 0.0 115.473 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.28 -40.43 21.54 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.887 -2.415 . . . . 0.0 106.5 174.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' D' ' 24' ' ' ALA . 17.1 t30 -65.38 -43.12 91.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.115 0.884 . . . . 0.0 109.474 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -42.69 97.54 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -37.62 86.58 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.267 0.979 . . . . 0.0 110.614 176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -56.38 -45.79 80.39 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 123.678 0.611 . . . . 0.0 109.51 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.66 -45.17 91.37 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 124.697 1.248 . . . . 0.0 110.553 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -62.91 -50.7 69.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 124.074 0.858 . . . . 0.0 112.036 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' B' ' 37' ' ' LEU . 54.0 mt -65.72 -44.52 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 119.221 -0.419 . . . . 0.0 110.147 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.8 -43.92 94.23 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.677 0.611 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' C' ' 39' ' ' LEU . 25.9 t80 -59.35 -43.7 92.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.006 0.816 . . . . 0.0 110.05 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.51 -50.82 68.13 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.027 0.829 . . . . 0.0 110.275 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' D' ' 33' ' ' ILE . 11.4 mt -58.45 -45.5 88.43 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.974 0.796 . . . . 0.0 110.141 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.1 -43.41 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.424 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' C' ' 35' ' ' PHE . 23.4 mt -62.03 -43.91 97.83 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.408 HD11 ' SG ' ' B' ' 41' ' ' CYS . 45.5 mt -66.94 -41.56 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.176 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.8 m -56.13 -43.87 78.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.5 mt -66.39 -35.6 80.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.036 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.41 -31.18 63.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.121 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.6 mp -66.64 -39.2 88.16 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.38 -42.91 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.45 -36.67 84.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.944 0.778 . . . . 0.0 109.775 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' C' ' 44' ' ' LEU . 40.4 mt -63.6 -42.41 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.493 HD12 ' HG3' ' D' ' 50' ' ' MET . 24.9 mm -63.75 -42.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.577 0.548 . . . . 0.0 109.692 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.78 -43.38 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.423 ' HG3' HD12 ' B' ' 48' ' ' ILE . 81.5 mmm -65.34 -38.83 91.31 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.15 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.33 -41.57 98.9 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.007 177.808 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.74 -36.98 75.21 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.29 -42.92 96.15 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.723 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.5 -46.62 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -57.93 -46.83 84.41 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.393 1.058 . . . . 0.0 109.82 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.31 -40.42 97.29 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.939 0.774 . . . . 0.0 109.672 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.467 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.84 -42.54 99.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.941 0.776 . . . . 0.0 109.495 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.35 -47.21 85.23 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.59 -43.56 98.63 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.967 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -64.78 -40.13 94.75 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 124.008 0.817 . . . . 0.0 110.561 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.92 93.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.82 -42.65 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.826 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.498 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.61 -43.87 96.95 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.153 0.908 . . . . 0.0 109.708 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.498 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -66.34 -44.48 83.17 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.9 179.051 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.29 98.66 Favored 'General case' 0 C--N 1.34 0.184 0 O-C-N 124.005 0.816 . . . . 0.0 110.017 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -61.49 -45.64 93.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.469 0.481 . . . . 0.0 110.781 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.08 1.73 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.568 0.543 . . . . 0.0 111.368 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -74.72 112.22 10.71 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -163.88 60.58 0.87 Allowed Pre-proline 0 CA--C 1.549 0.922 0 O-C-N 124.117 0.886 . . . . 0.0 109.759 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.71 -31.8 95.65 Favored 'Trans proline' 0 N--CA 1.516 2.798 0 C-N-CA 122.936 2.424 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.72 -38.75 90.04 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.533 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.0 27.78 0.98 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.329 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' C' ' 27' ' ' ASN . . . -58.59 -26.34 63.54 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 48.95 165.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -88.33 -41.66 12.72 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.659 -2.973 . . . . 0.0 108.398 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.452 ' OD1' ' HB3' ' E' ' 24' ' ' ALA . 17.9 t30 -65.37 -42.87 92.28 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.342 0.657 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.55 -42.27 98.59 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -37.51 86.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 124.255 0.972 . . . . 0.0 110.013 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -56.59 -45.0 81.61 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.11 -44.98 90.6 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 124.681 1.238 . . . . 0.0 110.414 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -63.37 -50.98 67.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.929 0.768 . . . . 0.0 112.135 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' C' ' 37' ' ' LEU . 57.7 mt -65.3 -44.63 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.428 0.455 . . . . 0.0 110.091 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -59.74 -43.78 94.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' D' ' 39' ' ' LEU . 27.6 t80 -60.35 -44.12 95.83 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -38.87 89.05 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.488 0.493 . . . . 0.0 111.418 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' E' ' 33' ' ' ILE . 13.1 mt -67.16 -45.6 76.54 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.61 -41.6 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.955 1.41 . . . . 0.0 108.053 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' D' ' 35' ' ' PHE . 26.4 mt -63.1 -44.4 95.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.41 -44.08 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.4 m -55.97 -45.96 78.76 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.676 0.61 . . . . 0.0 110.092 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.0 mt -65.84 -34.86 79.12 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.83 -30.92 61.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.505 HD23 HD11 ' E' ' 47' ' ' ILE . 5.4 mp -65.71 -39.06 90.82 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.89 -43.22 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.56 -37.19 86.36 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.894 0.746 . . . . 0.0 110.001 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' D' ' 44' ' ' LEU . 48.2 mt -63.38 -41.88 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.585 HD11 HG12 ' E' ' 47' ' ' ILE . 22.9 mm -64.56 -42.51 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.35 -43.36 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.493 ' HG3' HD12 ' C' ' 48' ' ' ILE . 81.5 mmm -65.06 -39.0 92.64 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.217 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.86 -41.71 99.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.437 177.312 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.5 -37.18 72.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.85 0.357 . . . . 0.0 110.065 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -63.93 -43.35 96.13 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.555 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.79 -45.58 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 124.192 0.933 . . . . 0.0 108.742 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -58.75 -46.9 86.39 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.164 0.915 . . . . 0.0 109.81 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.0 -40.44 97.77 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.739 0.649 . . . . 0.0 109.517 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.492 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.6 tm? -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.896 0.747 . . . . 0.0 109.567 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -63.08 -46.61 86.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.76 -43.3 99.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.026 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -65.03 -40.09 94.34 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 124.046 0.842 . . . . 0.0 110.575 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.86 93.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.91 -42.73 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.787 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -60.49 -44.03 96.39 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.158 0.911 . . . . 0.0 109.774 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -66.09 -44.8 83.34 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.815 178.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.56 96.6 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.984 0.803 . . . . 0.0 109.855 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -62.09 -45.76 92.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.646 0.591 . . . . 0.0 110.71 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.37 0.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.556 0.535 . . . . 0.0 111.298 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.79 113.8 11.34 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -165.21 60.38 0.7 Allowed Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 124.073 0.858 . . . . 0.0 109.798 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.86 -32.28 96.96 Favored 'Trans proline' 0 N--CA 1.511 2.536 0 C-N-CA 122.815 2.343 . . . . 0.0 111.311 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.42 -38.43 89.89 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.742 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.4 28.96 0.8 Allowed 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' D' ' 27' ' ' ASN . . . -58.65 -26.47 63.8 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 47.75 165.27 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 175.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -86.75 -42.45 13.32 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 110.272 -3.149 . . . . 0.0 108.108 176.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -64.45 -42.7 95.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.893 0.746 . . . . 0.0 110.482 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.44 -42.9 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -37.43 86.84 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.039 0.837 . . . . 0.0 110.084 177.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -56.95 -45.33 82.9 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.32 -44.74 90.6 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.115 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -62.98 -50.77 69.46 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.907 0.754 . . . . 0.0 112.144 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.8 mt -65.82 -44.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.086 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -59.39 -43.84 92.88 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' E' ' 39' ' ' LEU . 26.3 t80 -60.99 -44.57 97.19 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.837 0.711 . . . . 0.0 109.729 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -63.75 -40.14 95.98 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.491 179.088 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.565 ' CD1' HG23 ' A' ' 33' ' ' ILE . 6.6 mt -64.25 -70.98 0.19 Allowed 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 104.076 -2.564 . . . . 0.0 104.076 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -35.85 -42.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 125.119 1.512 . . . . 0.0 109.654 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' E' ' 35' ' ' PHE . 23.8 mt -63.35 -46.82 84.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.507 0.323 . . . . 0.0 110.819 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' E' ' 37' ' ' LEU . 7.5 mm -63.28 -43.42 98.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 61.1 m -56.56 -46.35 80.78 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 123.628 0.58 . . . . 0.0 109.689 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.71 -35.52 81.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.689 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.2 -52.15 44.68 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.636 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.2 mp -50.58 -38.93 48.14 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.457 0.571 . . . . 0.0 109.697 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.52 -44.57 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -65.69 -34.45 78.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.917 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' E' ' 44' ' ' LEU . 70.1 mt -64.03 -41.88 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 47' ' ' ILE . 23.8 mm -64.53 -41.96 93.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.16 -42.91 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.79 -39.38 93.5 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.864 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 124.03 0.832 . . . . 0.0 108.813 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.143 177.75 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.53 -37.35 78.16 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.173 0.511 . . . . 0.0 109.681 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.47 -42.05 96.15 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.436 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.02 -45.34 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 123.977 0.798 . . . . 0.0 108.863 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -60.29 -47.39 86.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.646 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.73 -40.53 97.5 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.09 0.868 . . . . 0.0 109.793 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.66 -43.22 99.27 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.749 0.655 . . . . 0.0 109.508 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.27 -46.69 87.67 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.62 -42.62 99.14 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.098 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.091 0.869 . . . . 0.0 110.573 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.86 92.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.43 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.57 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -60.76 -40.98 94.51 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.249 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -74.37 -20.15 60.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.925 0.766 . . . . 0.0 111.518 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.46 66.97 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SEP . . . . . 0.58 ' O1P' HG23 ' A' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.58 HG23 ' O1P' ' A' ' 16' ' ' SEP . 17.6 p -63.43 -17.14 62.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.8 pt -72.35 130.93 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.196 0.31 . . . . 0.0 110.413 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -130.28 128.4 41.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.831 0.707 . . . . 0.0 109.446 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.9 ttt -162.17 63.13 1.46 Allowed Pre-proline 0 CA--C 1.553 1.075 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -60.13 -24.16 75.96 Favored 'Trans proline' 0 N--CA 1.514 2.699 0 C-N-CA 122.879 2.386 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.81 -19.37 64.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.118 0.886 . . . . 0.0 111.76 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -42.96 104.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.281 0.988 . . . . 0.0 112.879 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.56 133.19 0.78 Allowed 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.499 -1.228 . . . . 0.0 108.664 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' E' ' 27' ' ' ASN . 8.4 ttp180 -16.95 -77.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.012 1.325 . . . . 0.0 112.97 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -44.14 -52.51 7.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.116 0.26 . . . . 0.0 111.658 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.63 -38.71 85.68 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.076 0.551 . . . . 0.0 111.247 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.12 -35.76 77.9 Favored 'General case' 0 N--CA 1.461 0.109 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HG2' HD12 ' A' ' 33' ' ' ILE . 6.8 tt0 -65.87 -37.57 86.51 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.22 -46.29 89.53 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.22 -44.23 95.36 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.642 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -74.51 -57.54 3.87 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' E' ' 37' ' ' LEU . 63.2 mt -65.0 -45.85 93.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.48 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -60.92 -41.44 96.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.717 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 50.1 t80 -57.77 -45.81 85.45 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -67.93 -38.85 83.4 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.947 0.779 . . . . 0.0 111.811 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.67 HD11 HG23 ' B' ' 33' ' ' ILE . 46.7 mt -67.49 -45.89 74.54 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.288 0.566 . . . . 0.0 109.905 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.14 -41.91 85.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.135 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 25.9 mt -61.66 -43.46 98.82 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 HD13 ' E' ' 44' ' ' LEU . 1.5 mm -65.51 -42.39 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 O-C-N 123.754 0.659 . . . . 0.0 109.692 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 70.8 m -57.36 -49.41 76.25 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.8 mt -63.18 -39.55 94.97 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 124.897 1.373 . . . . 0.0 110.756 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.4 tp -72.88 -25.68 61.17 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.859 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 40' ' ' ILE . 1.6 mt -74.48 -36.09 63.29 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 42' ' ' LEU . 55.5 mt -61.07 -40.72 86.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.37 -42.77 99.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.509 HG13 HD11 ' E' ' 48' ' ' ILE . 91.5 mt -64.57 -43.39 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 123.675 0.609 . . . . 0.0 109.362 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.507 HD11 HG13 ' B' ' 47' ' ' ILE . 2.6 mm -62.51 -44.82 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 124.316 1.01 . . . . 0.0 110.606 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.73 -46.44 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 123.914 0.759 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mmm -63.94 -49.05 74.09 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.874 0.734 . . . . 0.0 109.798 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.53 -42.5 92.44 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 0.0 110.187 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.767 178.616 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.23 -36.88 76.24 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.204 0.526 . . . . 0.0 109.767 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.7 -41.99 95.61 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.633 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.42 -44.47 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.22 -47.34 86.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.541 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.0 -41.02 99.48 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 124.043 0.839 . . . . 0.0 109.846 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.467 ' C ' HD13 ' B' ' 7' ' ' LEU . 3.2 tm? -61.94 -43.27 99.19 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.89 0.744 . . . . 0.0 109.526 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.78 -45.62 91.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -62.56 -42.18 99.38 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.923 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -65.66 -38.41 89.23 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 124.141 0.901 . . . . 0.0 110.55 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.69 91.25 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.618 0.574 . . . . 0.0 109.601 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.37 -42.41 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.8 ttp180 -60.64 -40.96 93.89 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.137 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -74.46 -20.01 60.17 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.944 0.777 . . . . 0.0 111.517 179.386 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -24.63 66.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SEP . . . . . 0.573 ' O1P' HG23 ' B' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.573 HG23 ' O1P' ' B' ' 16' ' ' SEP . 17.9 p -63.67 -16.97 62.41 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.079 0.237 . . . . 0.0 111.613 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 pt -72.3 130.84 35.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.258 0.349 . . . . 0.0 110.266 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -130.26 127.68 40.06 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.811 0.694 . . . . 0.0 109.584 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.2 ttt -161.3 62.47 1.54 Allowed Pre-proline 0 CA--C 1.55 0.976 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.57 -24.03 77.17 Favored 'Trans proline' 0 N--CA 1.517 2.861 0 C-N-CA 122.78 2.32 . . . . 0.0 112.463 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.73 -20.8 65.27 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.797 0.686 . . . . 0.0 111.682 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -41.77 101.59 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 O-C-N 124.393 1.058 . . . . 0.0 112.89 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.435 ' HB1' ' NH1' ' C' ' 25' ' ' ARG . . . -163.52 139.41 6.69 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.021 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -33.68 -41.4 0.09 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.544 ' H ' ' NH1' ' C' ' 25' ' ' ARG . 22.5 mt-30 -73.22 -49.67 26.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -61.61 -34.7 76.1 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.352 1.061 . . . . 0.0 110.373 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.72 -39.25 90.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' B' ' 33' ' ' ILE . 6.8 tt0 -65.37 -38.12 89.1 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 123.501 0.501 . . . . 0.0 109.94 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.03 -47.13 86.13 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.7 -44.57 96.39 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.825 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -74.52 -56.8 4.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.67 HG23 HD11 ' A' ' 37' ' ' LEU . 59.7 mt -64.38 -46.34 93.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.95 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -61.22 -40.9 95.73 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.463 0.574 . . . . 0.0 110.416 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 54.3 t80 -57.46 -45.34 84.88 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.69 0.619 . . . . 0.0 109.566 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -66.47 -51.04 61.03 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.014 0.821 . . . . 0.0 110.156 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' B' ' 33' ' ' ILE . 29.7 mt -56.77 -44.55 81.91 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.568 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.55 -42.51 91.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.979 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.0 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.2 mt -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 41' ' ' CYS . 1.8 mm -64.23 -42.87 96.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 79.3 m -59.0 -48.42 81.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 123.604 0.565 . . . . 0.0 109.65 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 45' ' ' ILE . 62.4 mt -63.35 -39.9 95.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.391 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.7 tp -72.87 -25.24 61.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.595 HD13 HG23 ' C' ' 40' ' ' ILE . 1.1 mt -73.89 -36.53 64.79 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.3 mt -61.62 -40.81 87.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.42 -42.78 99.29 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.507 HG13 HD11 ' A' ' 48' ' ' ILE . 89.2 mt -64.54 -43.08 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.418 HD11 HG13 ' C' ' 47' ' ' ILE . 2.1 mm -61.67 -44.72 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 124.059 0.85 . . . . 0.0 110.935 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.76 -47.17 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 124.061 0.851 . . . . 0.0 109.383 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 83.9 mmm -64.88 -50.73 65.43 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 123.886 0.742 . . . . 0.0 110.331 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.87 -40.49 76.28 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.209 1.003 . . . . 0.0 110.563 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp . . . . . 0 CA--C 1.544 0.726 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.545 177.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.79 -36.8 77.47 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.42 -42.45 96.03 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.772 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.3 -45.2 96.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -59.67 -47.33 86.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.661 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.23 -40.35 97.21 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 109.725 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.462 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -61.92 -42.95 99.69 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -62.66 -46.57 87.58 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -61.88 -42.42 99.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.835 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -65.55 -38.86 90.82 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 124.143 0.902 . . . . 0.0 110.466 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.16 91.5 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.16 -42.47 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.489 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.446 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.6 ttp180 -60.77 -40.84 94.07 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.16 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.446 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -74.51 -20.03 60.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.099 0.875 . . . . 0.0 111.527 179.253 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -24.59 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' SEP . . . . . 0.581 ' O1P' HG23 ' C' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.581 HG23 ' O1P' ' C' ' 16' ' ' SEP . 18.2 p -63.31 -16.73 61.24 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.083 0.239 . . . . 0.0 111.574 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 pt -73.07 131.81 34.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -132.78 127.56 34.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.765 0.666 . . . . 0.0 109.464 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 11.2 ttt -160.63 63.55 1.9 Allowed Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.8 -23.54 76.85 Favored 'Trans proline' 0 N--CA 1.513 2.631 0 C-N-CA 122.708 2.272 . . . . 0.0 112.52 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.14 -21.13 65.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.861 0.726 . . . . 0.0 111.575 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.85 102.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.153 0.908 . . . . 0.0 112.734 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.471 ' HB1' ' NH1' ' D' ' 25' ' ' ARG . . . -163.64 136.25 5.23 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.289 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.544 ' NH1' ' H ' ' B' ' 26' ' ' GLN . 12.5 ttp180 -32.26 -42.4 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.509 ' H ' ' NH1' ' D' ' 25' ' ' ARG . 82.4 mt-30 -72.78 -48.19 40.3 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -62.39 -34.4 76.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.427 1.08 . . . . 0.0 110.464 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.82 -38.61 88.78 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.69 -38.2 90.19 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.349 0.406 . . . . 0.0 110.019 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.83 -46.45 89.42 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.27 -44.3 97.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.709 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -74.37 -56.92 4.32 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' B' ' 37' ' ' LEU . 61.2 mt -64.34 -46.72 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.478 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.49 -40.76 92.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.277 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 53.1 t80 -58.62 -44.91 90.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.82 -52.59 59.51 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.831 0.707 . . . . 0.0 110.031 178.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' D' ' 33' ' ' ILE . 28.0 mt -52.72 -74.63 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -32.85 -46.92 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.571 1.148 . . . . 0.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 22.1 mt -60.73 -47.59 85.6 Favored 'General case' 0 C--N 1.37 1.457 0 O-C-N 122.191 -0.318 . . . . 0.0 110.429 178.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.595 HG23 HD13 ' B' ' 44' ' ' LEU . 54.6 mt -64.65 -41.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 59.8 m -55.13 -48.21 73.97 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.4 mt -64.53 -37.89 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.189 -1.368 . . . . 0.0 110.814 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.4 tp -73.39 -28.01 61.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.684 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.53 HD12 HG22 ' C' ' 40' ' ' ILE . 0.7 OUTLIER -72.27 -37.12 69.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.297 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' C' ' 42' ' ' LEU . 58.8 mt -60.46 -41.19 86.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.66 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.56 -44.06 96.57 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.418 HG13 HD11 ' B' ' 48' ' ' ILE . 96.1 mt -65.34 -41.66 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.525 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.506 HD11 HG13 ' D' ' 47' ' ' ILE . 2.3 mm -62.13 -44.29 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 124.181 0.926 . . . . 0.0 110.286 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.47 -46.02 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 123.939 0.774 . . . . 0.0 109.407 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 71.3 mmm -63.33 -49.97 71.85 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 123.776 0.672 . . . . 0.0 109.733 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.94 -42.33 89.54 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.178 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.8 tp . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.814 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.27 -37.01 76.56 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.49 -42.26 95.97 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.742 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.2 -45.01 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -60.42 -47.2 87.11 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.741 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -62.76 -40.59 97.74 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.878 0.736 . . . . 0.0 109.661 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.459 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -61.84 -43.14 99.44 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -62.83 -45.72 91.29 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.651 0.594 . . . . 0.0 109.407 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.08 -42.72 99.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.082 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -65.12 -39.06 92.57 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 124.15 0.906 . . . . 0.0 110.524 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -43.99 91.36 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.58 0.55 . . . . 0.0 109.705 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.34 -42.33 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.7 ttp180 -60.76 -41.02 94.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.295 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -74.29 -19.87 60.33 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.049 0.843 . . . . 0.0 111.459 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -24.38 66.9 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' SEP . . . . . 0.587 ' O1P' HG23 ' D' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.587 HG23 ' O1P' ' D' ' 16' ' ' SEP . 18.1 p -63.14 -16.61 60.6 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.103 0.252 . . . . 0.0 111.622 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 pt -73.26 131.81 34.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 123.511 0.507 . . . . 0.0 110.026 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -132.6 127.83 35.84 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.754 0.659 . . . . 0.0 109.536 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.2 ttt -161.25 63.82 1.79 Allowed Pre-proline 0 CA--C 1.55 0.961 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -60.25 -23.2 73.4 Favored 'Trans proline' 0 N--CA 1.514 2.705 0 C-N-CA 122.796 2.331 . . . . 0.0 112.498 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.59 -19.37 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.014 0.821 . . . . 0.0 111.837 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -42.91 103.41 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.947 0.899 . . . . 0.0 112.46 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.07 131.96 0.82 Allowed 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.976 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.509 ' NH1' ' H ' ' C' ' 26' ' ' GLN . 7.5 ttp180 -15.79 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.748 1.619 . . . . 0.0 112.554 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -42.5 -51.49 5.03 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 122.863 0.465 . . . . 0.0 111.042 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.414 ' H ' HH11 ' E' ' 25' ' ' ARG . 8.1 t30 -62.87 -38.22 90.01 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.036 0.534 . . . . 0.0 111.001 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.93 -35.95 78.05 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' D' ' 33' ' ' ILE . 6.8 tt0 -64.64 -38.69 91.85 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.72 -45.39 94.18 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.26 -43.77 98.33 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.749 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -74.54 -58.84 3.03 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' C' ' 37' ' ' LEU . 63.6 mt -63.32 -46.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.39 -176.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -61.02 -41.46 96.6 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.303 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 51.4 t80 -57.73 -45.41 85.83 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.616 0.572 . . . . 0.0 109.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -68.4 -39.1 81.77 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.144 0.903 . . . . 0.0 111.929 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 33' ' ' ILE . 42.5 mt -67.21 -44.64 79.05 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.52 -42.12 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 125.356 1.66 . . . . 0.0 108.73 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.4 mt -62.47 -44.14 97.11 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.543 1.152 . . . . 0.0 109.483 178.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.508 HD11 ' SG ' ' C' ' 41' ' ' CYS . 1.5 mm -64.47 -43.24 96.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.2 m -58.22 -49.01 78.57 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.759 0.662 . . . . 0.0 109.316 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' D' ' 45' ' ' ILE . 62.7 mt -62.63 -40.58 97.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.0 tp -64.29 -51.08 65.3 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.55 HD13 HG23 ' E' ' 40' ' ' ILE . 4.7 mt -53.02 -36.68 60.79 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 122.726 0.41 . . . . 0.0 110.384 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.6 mt -61.79 -42.22 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.54 -39.75 94.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.506 HG13 HD11 ' C' ' 48' ' ' ILE . 96.9 mt -64.05 -43.69 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.511 HD11 HG13 ' E' ' 47' ' ' ILE . 2.1 mm -63.19 -44.17 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.419 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 45' ' ' ILE . 48.0 t -63.09 -46.65 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 O-C-N 124.119 0.887 . . . . 0.0 109.769 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mmm -63.57 -50.77 68.15 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 123.868 0.73 . . . . 0.0 109.518 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.28 -42.41 86.47 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.62 0.768 . . . . 0.0 110.482 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.722 178.53 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.62 -36.75 76.94 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.71 -41.85 95.7 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.64 -43.73 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 124.068 0.855 . . . . 0.0 109.108 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.98 -47.1 86.34 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.647 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.87 -41.34 99.35 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.698 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.466 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -61.8 -43.02 99.68 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.838 0.711 . . . . 0.0 109.736 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.88 -45.9 90.38 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -62.45 -42.13 99.24 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.014 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -65.3 -38.81 91.35 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.086 0.866 . . . . 0.0 110.515 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.03 91.82 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.25 -42.38 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.536 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -60.68 -40.88 93.81 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.229 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -74.56 -19.89 60.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.937 0.773 . . . . 0.0 111.393 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.65 66.82 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 16' ' ' SEP . . . . . 0.573 ' O1P' HG23 ' E' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.573 HG23 ' O1P' ' E' ' 16' ' ' SEP . 18.1 p -63.26 -16.87 61.61 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 pt -73.01 132.05 33.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 123.518 0.512 . . . . 0.0 110.026 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -132.76 128.29 36.5 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.869 0.731 . . . . 0.0 109.584 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 11.3 ttt -161.29 63.63 1.74 Allowed Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.52 -22.91 73.81 Favored 'Trans proline' 0 N--CA 1.512 2.592 0 C-N-CA 122.841 2.361 . . . . 0.0 112.592 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.87 -18.98 65.64 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.044 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.1 101.92 0.02 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.166 0.984 . . . . 0.0 112.613 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.48 133.05 1.62 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.806 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.414 HH11 ' H ' ' D' ' 27' ' ' ASN . 8.2 ttp180 -17.42 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 125.696 1.598 . . . . 0.0 112.601 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.32 -51.92 6.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 123.725 0.64 . . . . 0.0 111.1 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.41 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 8.1 t30 -61.99 -39.09 91.02 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.2 0.6 . . . . 0.0 110.961 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.6 -35.0 75.04 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -65.33 -37.8 88.22 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.73 -46.16 90.82 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.63 -44.09 96.75 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.8 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -74.77 -57.23 4.04 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 37' ' ' LEU . 55.9 mt -64.26 -46.9 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.393 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -60.76 -41.04 94.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.423 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 50.0 t80 -57.29 -44.95 84.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.552 0.533 . . . . 0.0 109.867 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.45 -50.75 64.2 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 123.643 0.589 . . . . 0.0 110.795 178.572 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' A' ' 33' ' ' ILE . 46.3 mt -58.26 -46.54 85.83 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.675 0.609 . . . . 0.0 109.674 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.87 -43.96 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 124.707 1.255 . . . . 0.0 109.584 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 23.2 mt -61.41 -44.36 97.28 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.57 0.544 . . . . 0.0 110.054 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' D' ' 44' ' ' LEU . 59.7 mt -67.06 -41.01 86.66 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 124.115 0.884 . . . . 0.0 110.182 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.2 m -55.81 -48.84 74.69 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.8 mt -63.31 -40.57 97.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.591 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.3 tp -64.08 -50.89 66.54 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.535 HD12 HG22 ' E' ' 40' ' ' ILE . 1.7 mt -55.53 -34.0 64.3 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.829 0.452 . . . . 0.0 110.4 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' E' ' 42' ' ' LEU . 52.5 mt -62.06 -41.93 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.11 -39.99 96.32 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.511 HG13 HD11 ' D' ' 48' ' ' ILE . 97.2 mt -63.39 -43.71 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 47' ' ' ILE . 2.4 mm -64.25 -43.95 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.22 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.453 HG23 ' O ' ' E' ' 45' ' ' ILE . 44.2 t -63.47 -46.12 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 O-C-N 124.027 0.83 . . . . 0.0 109.683 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.3 mmm -63.75 -50.74 67.86 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.42 -42.29 86.88 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 124.083 0.865 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 CA--C 1.543 0.709 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.502 178.274 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.57 -38.12 89.92 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.83 -42.41 94.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.348 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.74 -44.17 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.217 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.48 -44.17 96.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.31 -40.36 97.12 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.951 0.782 . . . . 0.0 109.228 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.61 -41.95 98.19 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.968 0.792 . . . . 0.0 109.066 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -62.5 -46.27 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.53 -41.96 99.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.924 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -65.51 -38.66 90.34 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 124.06 0.85 . . . . 0.0 110.419 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.96 92.72 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.607 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 124.119 0.887 . . . . 0.0 108.655 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.02 -40.81 90.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.401 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -70.31 -41.41 73.33 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.605 178.53 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 4.79 19.13 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.047 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -144.82 55.8 1.25 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.4 pt -77.26 131.7 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.761 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -123.65 -47.87 1.94 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.336 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptp 33.78 55.04 1.51 Allowed Pre-proline 0 CA--C 1.562 1.415 0 C-N-CA 125.193 1.397 . . . . 0.0 114.024 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HD2' ' HB2' ' A' ' 24' ' ' ALA . 61.1 Cg_endo -69.55 -177.59 1.88 Allowed 'Trans proline' 0 N--CA 1.517 2.898 0 C-N-CA 122.886 2.391 . . . . 0.0 112.031 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -66.57 -40.22 88.86 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.413 0.625 . . . . 0.0 109.464 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.66 -5.75 47.07 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.538 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.671 ' HB3' ' HG ' ' A' ' 28' ' ' LEU . . . -59.1 -43.48 91.87 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -168.72 170.73 9.15 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.87 -36.76 84.33 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.667 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.02 -36.11 82.91 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 113.963 -1.472 . . . . 0.0 111.39 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.671 ' HG ' ' HB3' ' A' ' 24' ' ' ALA . 3.8 mm? -60.42 -35.12 75.06 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.653 0.596 . . . . 0.0 110.694 -179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.42 -37.77 76.06 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 117.849 0.295 . . . . 0.0 111.193 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.37 -45.99 89.9 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 124.47 1.106 . . . . 0.0 110.079 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.8 -49.06 79.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.296 -178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.18 -50.51 63.63 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.52 -45.69 97.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 O-C-N 123.762 0.664 . . . . 0.0 110.039 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.96 -42.07 94.93 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.619 0.574 . . . . 0.0 110.34 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.9 t80 -56.01 -47.24 78.16 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.692 0.62 . . . . 0.0 110.991 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -49.7 69.02 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.75 -43.6 94.21 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.794 0.684 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.32 -43.11 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.289 0.993 . . . . 0.0 108.598 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.7 mt -62.03 -42.28 99.0 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 44' ' ' LEU . 23.8 mm -63.66 -42.47 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.227 -0.656 . . . . 0.0 109.227 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 58.4 m -57.15 -48.4 78.8 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.42 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.218 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.81 -28.51 58.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.841 0.457 . . . . 0.0 111.352 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.674 ' CD1' HD12 ' B' ' 40' ' ' ILE . 4.2 mt -68.35 -39.23 81.94 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.05 -42.71 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.98 -37.1 85.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.616 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 44' ' ' LEU . 48.2 mt -63.37 -42.16 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.435 HD11 ' CG1' ' B' ' 47' ' ' ILE . 25.4 mm -64.6 -42.53 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 123.583 0.552 . . . . 0.0 109.562 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.456 ' HG3' HD12 ' E' ' 48' ' ' ILE . 71.8 mmm -65.4 -37.78 88.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.005 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.36 -41.47 96.72 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.395 177.821 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.13 -37.76 88.5 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.05 -42.26 94.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.394 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.85 -44.57 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 124.238 0.961 . . . . 0.0 109.055 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.29 -44.06 95.7 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.155 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.34 -40.74 98.12 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 124.053 0.846 . . . . 0.0 109.292 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.57 -41.79 97.91 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.947 0.779 . . . . 0.0 109.155 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.7 m -62.34 -46.61 87.91 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.35 -42.17 99.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.12 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.35 -39.42 93.85 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.085 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.08 86.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.239 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.38 -44.89 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.78 0.675 . . . . 0.0 110.671 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.1 ptt180 -69.47 -27.56 65.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.1 tpp180 -70.62 -41.67 71.94 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.89 2.52 38.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.722 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.4 p -148.76 57.42 1.04 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.427 0.632 . . . . 0.0 109.54 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.5 pt -78.32 131.82 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.492 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -123.59 -48.12 1.94 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ptp 33.57 54.81 1.4 Allowed Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 125.049 1.34 . . . . 0.0 113.878 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.628 ' HD2' ' HB2' ' B' ' 24' ' ' ALA . 61.4 Cg_endo -69.25 -177.65 1.8 Allowed 'Trans proline' 0 N--CA 1.513 2.668 0 C-N-CA 122.726 2.284 . . . . 0.0 112.114 179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -66.29 -39.95 89.7 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.647 0.737 . . . . 0.0 109.45 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -76.05 -6.38 50.84 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.613 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.651 ' HB3' ' HG ' ' B' ' 28' ' ' LEU . . . -57.96 -44.93 87.31 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -167.51 170.83 10.91 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -62.44 -37.55 86.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 111.979 -2.373 . . . . 0.0 107.481 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -62.81 -36.65 83.87 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.135 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.651 ' HG ' ' HB3' ' B' ' 24' ' ' ALA . 3.7 mm? -60.69 -35.0 75.2 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -59.27 -36.93 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 118.083 0.401 . . . . 0.0 110.786 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -46.96 87.1 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 124.393 1.058 . . . . 0.0 110.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.96 -49.04 79.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.647 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.2 -50.61 63.26 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.913 0.758 . . . . 0.0 112.926 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.02 -46.27 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 123.81 0.694 . . . . 0.0 110.154 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -64.08 -42.32 97.0 Favored 'General case' 0 C--O 1.219 -0.526 0 O-C-N 123.922 0.764 . . . . 0.0 110.787 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 62.7 t80 -56.76 -46.58 81.35 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.539 0.525 . . . . 0.0 111.017 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.75 -52.22 58.2 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.928 0.767 . . . . 0.0 110.118 179.131 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.08 -43.59 87.12 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.675 0.609 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.64 -42.09 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 124.245 0.965 . . . . 0.0 108.662 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 34.1 mt -61.34 -41.64 97.38 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.806 HD11 ' SG ' ' A' ' 41' ' ' CYS . 11.1 mm -64.8 -43.48 96.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.44 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 84.3 m -56.21 -45.37 79.91 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.387 0.613 . . . . 0.0 109.985 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -65.75 -36.2 82.9 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.418 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.03 -30.36 61.05 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.126 0.891 . . . . 0.0 111.829 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG22 ' B' ' 40' ' ' ILE . 5.5 mp -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.424 ' O ' HG23 ' B' ' 49' ' ' VAL . 79.5 mt -63.01 -42.75 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.25 -37.39 87.04 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 123.645 0.59 . . . . 0.0 109.942 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 44' ' ' LEU . 41.7 mt -63.86 -43.12 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.418 HD12 ' HG3' ' C' ' 50' ' ' MET . 25.3 mm -64.08 -42.83 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.9 t -62.11 -42.65 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.1 mmm -61.22 -55.93 26.43 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 53.1 tp -50.14 -41.09 48.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.216 0.948 . . . . 0.0 110.272 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.343 177.863 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.74 -38.21 90.25 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.56 -42.51 95.63 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.383 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.85 -44.23 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.957 0.786 . . . . 0.0 109.118 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.08 -44.43 94.77 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.098 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.23 -40.57 97.82 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 124.021 0.826 . . . . 0.0 109.228 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.424 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.62 -41.76 97.92 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.766 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m -62.35 -46.21 89.71 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.61 -41.96 99.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.091 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 70.1 m -65.56 -38.72 90.37 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.976 0.798 . . . . 0.0 110.272 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.6 92.61 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.21 -42.56 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.461 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.4 ttp180 -60.0 -40.9 90.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.487 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.461 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -70.04 -41.34 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.673 178.543 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.55 4.46 21.29 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.95 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -148.31 56.69 1.06 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 pt -77.56 131.64 34.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.788 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -123.38 -48.22 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptp 34.02 54.98 1.59 Allowed Pre-proline 0 CA--C 1.564 1.49 0 C-N-CA 125.067 1.347 . . . . 0.0 113.868 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.65 ' HD2' ' HB2' ' C' ' 24' ' ' ALA . 60.3 Cg_endo -69.57 -177.36 1.78 Allowed 'Trans proline' 0 N--CA 1.514 2.72 0 C-N-CA 122.732 2.288 . . . . 0.0 111.93 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.55 -40.56 89.12 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.54 -7.63 53.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.522 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.684 ' HB3' ' HG ' ' C' ' 28' ' ' LEU . . . -57.42 -45.44 84.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -166.32 171.88 11.63 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.84 -37.27 86.77 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.297 -2.229 . . . . 0.0 107.146 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.25 -36.75 84.68 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.559 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.684 ' HG ' ' HB3' ' C' ' 24' ' ' ALA . 3.8 mm? -61.14 -34.62 75.3 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.518 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.97 -37.73 77.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 123.134 0.271 . . . . 0.0 110.586 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.69 -46.36 89.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.722 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.6 tp -59.03 -49.53 77.56 Favored 'General case' 0 CA--C 1.524 -0.056 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.664 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.59 -50.36 65.38 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.6 -45.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.16 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.34 -41.96 96.5 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 124.032 0.833 . . . . 0.0 110.309 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 59.1 t80 -56.83 -47.04 81.22 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.636 0.585 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -48.79 71.92 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.612 0.57 . . . . 0.0 110.3 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.34 -42.57 95.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.945 0.778 . . . . 0.0 110.583 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.89 -42.79 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.3 mt -63.18 -42.03 99.29 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 72.3 m -57.38 -45.51 84.39 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.69 -36.65 84.95 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 124.287 0.992 . . . . 0.0 110.043 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.03 -29.78 62.1 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.99 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.49 HD23 HD11 ' D' ' 47' ' ' ILE . 4.7 mp -67.38 -39.46 85.63 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.407 ' O ' HG23 ' C' ' 49' ' ' VAL . 80.0 mt -63.48 -42.77 97.38 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.65 -37.69 88.27 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.627 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.403 HG12 HD11 ' B' ' 48' ' ' ILE . 48.5 mt -63.45 -42.21 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.583 HD11 HG12 ' D' ' 47' ' ' ILE . 22.8 mm -64.64 -42.66 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 45' ' ' ILE . 52.9 t -62.64 -42.92 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.418 ' HG3' HD12 ' B' ' 48' ' ' ILE . 71.3 mmm -65.08 -37.85 88.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.004 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.57 -41.87 96.02 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.398 178.093 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.09 -38.23 90.07 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.03 -42.06 94.7 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.188 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -44.13 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 124.04 0.837 . . . . 0.0 109.074 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -58.91 -46.18 88.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.203 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -62.64 -40.38 96.82 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.369 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.57 -42.23 98.54 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -62.79 -46.18 89.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.45 -42.04 99.17 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.987 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -65.6 -38.75 90.37 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 124.166 0.916 . . . . 0.0 110.178 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.77 93.83 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.25 -42.57 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.0 -40.84 90.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.417 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.01 -41.32 74.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.632 178.527 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.58 4.53 21.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.91 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -148.14 56.51 1.06 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 pt -77.6 131.74 34.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.816 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -123.64 -47.99 1.94 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptp 33.65 55.24 1.48 Allowed Pre-proline 0 CA--C 1.563 1.47 0 C-N-CA 125.087 1.355 . . . . 0.0 113.952 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.632 ' HD2' ' HB2' ' D' ' 24' ' ' ALA . 60.1 Cg_endo -69.23 -176.79 1.45 Allowed 'Trans proline' 0 N--CA 1.514 2.729 0 C-N-CA 122.699 2.266 . . . . 0.0 112.026 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -67.13 -39.93 86.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.466 0.65 . . . . 0.0 109.385 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -75.63 -6.78 52.1 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.844 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.694 ' HB3' ' HG ' ' D' ' 28' ' ' LEU . . . -57.8 -44.96 86.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -166.97 171.19 11.39 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.226 1.488 . . . . 0.0 114.098 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.74 -36.55 84.23 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 111.835 -2.439 . . . . 0.0 107.185 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -63.25 -37.21 86.37 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 114.057 -1.429 . . . . 0.0 111.577 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.694 ' HG ' ' HB3' ' D' ' 24' ' ' ALA . 3.6 mm? -60.29 -35.07 74.73 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.816 0.697 . . . . 0.0 110.757 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.02 -38.14 75.64 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 123.308 0.38 . . . . 0.0 110.949 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.46 -46.29 89.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.104 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.85 -48.8 80.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.744 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.04 -50.72 63.22 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.27 -45.84 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.176 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.91 -41.6 95.44 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 123.78 0.675 . . . . 0.0 110.17 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 58.4 t80 -56.82 -46.74 81.46 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.829 0.705 . . . . 0.0 111.177 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -50.01 67.33 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 123.515 0.509 . . . . 0.0 110.076 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 67.5 mt -59.4 -41.7 90.05 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.424 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.64 -42.05 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 29.7 mt -62.66 -41.96 99.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.439 HD12 HD13 ' C' ' 44' ' ' LEU . 26.1 mm -63.37 -43.47 98.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 76.3 m -59.1 -44.93 91.98 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.7 -38.92 92.63 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.469 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.95 -51.63 56.77 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.308 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mp -52.01 -38.56 57.26 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.259 0.936 . . . . 0.0 110.523 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.42 ' O ' HG23 ' D' ' 49' ' ' VAL . 75.5 mt -63.53 -43.75 98.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -65.54 -34.78 79.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.003 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' D' ' 44' ' ' LEU . 69.0 mt -64.07 -42.32 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.568 HD11 HG12 ' E' ' 47' ' ' ILE . 23.5 mm -64.61 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.42 HG23 ' O ' ' D' ' 45' ' ' ILE . 63.9 t -62.47 -42.71 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 70.5 mmm -64.55 -38.64 91.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.919 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.41 -41.59 96.54 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.338 178.125 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.61 -38.25 90.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.9 -42.36 94.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.337 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 124.071 0.857 . . . . 0.0 109.115 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.67 -44.06 96.94 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.085 0.865 . . . . 0.0 109.172 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -63.25 -40.42 97.38 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.213 0.946 . . . . 0.0 109.173 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.456 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.45 -42.0 98.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.887 0.742 . . . . 0.0 109.165 179.607 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -62.58 -46.23 89.29 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.59 -41.97 99.29 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.249 0.968 . . . . 0.0 109.91 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -65.78 -38.52 89.24 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.067 0.855 . . . . 0.0 110.231 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.77 92.9 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -42.75 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.187 0.929 . . . . 0.0 108.604 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -59.9 -40.97 90.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.417 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.14 -41.48 73.84 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.604 178.517 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.14 4.75 18.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.928 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -144.91 55.63 1.24 Allowed 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 48.5 pt -77.06 131.68 34.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.805 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -123.81 -48.22 1.91 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.189 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.0 ptp 33.7 55.21 1.5 Allowed Pre-proline 0 CA--C 1.563 1.456 0 C-N-CA 124.948 1.299 . . . . 0.0 113.993 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.632 ' HD2' ' HB2' ' E' ' 24' ' ' ALA . 62.7 Cg_endo -69.76 -177.03 1.69 Allowed 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.597 2.198 . . . . 0.0 112.115 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -40.18 89.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.398 0.618 . . . . 0.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.8 -5.93 48.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.021 -1.445 . . . . 0.0 112.895 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.678 ' HB3' ' HG ' ' E' ' 28' ' ' LEU . . . -57.86 -45.43 86.32 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -167.81 170.76 10.52 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -61.83 -37.63 85.17 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 112.197 -2.274 . . . . 0.0 107.239 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -64.05 -35.5 80.93 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.345 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.678 ' HG ' ' HB3' ' E' ' 24' ' ' ALA . 3.8 mm? -60.89 -35.36 76.44 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.01 0.819 . . . . 0.0 110.466 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.7 -37.41 76.03 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.887 0.312 . . . . 0.0 110.522 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.13 -46.71 87.63 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.039 0.837 . . . . 0.0 110.057 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 tp -59.41 -48.62 80.92 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.52 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.12 -50.53 63.68 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.37 -45.8 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.77 -42.06 97.87 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.764 0.665 . . . . 0.0 110.248 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 64.9 t80 -57.55 -47.19 82.71 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.573 0.546 . . . . 0.0 110.504 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -63.76 -53.02 57.6 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.241 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' E' ' 40' ' ' ILE . 69.2 mt -52.41 -72.02 0.06 Allowed 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.6 mt -34.42 -43.95 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.78 0 O-C-N 124.614 1.196 . . . . 0.0 110.701 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 30.4 mt -63.6 -44.71 93.19 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 177.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' D' ' 41' ' ' CYS . 24.9 mm -63.03 -43.07 98.83 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 m -57.59 -45.56 85.12 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.68 -36.78 85.39 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 124.723 1.264 . . . . 0.0 109.431 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.2 -52.34 48.93 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.072 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.5 mp -50.82 -38.83 51.03 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.679 0.672 . . . . 0.0 109.899 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.444 ' O ' HG23 ' E' ' 49' ' ' VAL . 81.4 mt -64.09 -44.03 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.3 -34.96 79.57 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 123.433 0.458 . . . . 0.0 110.097 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' E' ' 44' ' ' LEU . 69.3 mt -64.28 -42.46 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.456 HD12 ' HG3' ' A' ' 50' ' ' MET . 22.6 mm -64.66 -42.27 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' E' ' 45' ' ' ILE . 57.1 t -61.78 -42.21 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 66.7 mmm -61.04 -56.76 17.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 54.1 tp -49.68 -39.98 38.51 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.202 0.939 . . . . 0.0 110.34 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.931 178.258 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.7 -38.21 74.82 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.01 -41.24 95.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.842 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.73 -44.99 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.88 -40.06 91.25 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.347 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.83 -40.38 92.58 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.95 -43.13 99.49 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.964 0.79 . . . . 0.0 108.924 179.005 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -62.79 -46.13 89.42 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.377 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.8 -41.28 99.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.201 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -63.58 -40.4 96.86 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.811 0.694 . . . . 0.0 110.262 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.32 93.76 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.784 0.678 . . . . 0.0 109.594 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.82 -42.64 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 124.08 0.863 . . . . 0.0 109.018 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -60.06 -43.01 95.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -68.04 -43.62 78.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.501 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.53 112.08 1.67 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.148 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -50.92 116.14 1.84 Allowed 'General case' 0 C--O 1.237 0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.819 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.1 pt -74.05 -165.26 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.797 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -77.66 106.49 9.5 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 mtt 59.28 68.44 1.59 Allowed Pre-proline 0 CA--C 1.556 1.201 0 O-C-N 123.888 0.742 . . . . 0.0 109.853 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.26 148.41 55.46 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.567 2.178 . . . . 0.0 112.23 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.26 -25.93 67.11 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.911 0.757 . . . . 0.0 108.995 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.12 -47.47 83.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.7 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.48 84.2 2.09 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.972 1.42 . . . . 0.0 108.592 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -88.08 -74.93 0.44 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.987 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -52.0 -39.27 59.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 123.819 0.699 . . . . 0.0 110.363 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -60.87 -46.58 90.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 109.665 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.68 -42.17 99.49 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -36.17 83.16 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.86 0.3 . . . . 0.0 110.309 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.49 -47.09 76.73 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.86 -44.39 96.26 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.496 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.21 -47.72 81.32 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.903 0.752 . . . . 0.0 112.379 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.4 mt -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -63.42 -44.62 94.08 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.796 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 37.7 t80 -60.82 -45.61 93.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.009 0.818 . . . . 0.0 110.652 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -58.95 -53.99 52.15 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' ILE . 44.0 mt -52.31 -73.35 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -32.05 -43.72 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 29.6 mt -62.17 -44.35 96.8 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 122.092 -0.38 . . . . 0.0 110.483 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.772 HD11 ' SG ' ' E' ' 41' ' ' CYS . 6.1 mm -63.05 -41.77 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 23.8 m -55.81 -49.57 72.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.11 -38.8 92.36 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.757 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD11 HG13 ' E' ' 48' ' ' ILE . 17.1 tp -75.64 -26.28 57.61 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.631 0.582 . . . . 0.0 112.129 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' CD1' HD12 ' B' ' 40' ' ' ILE . 7.6 mt -70.69 -37.39 73.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 49' ' ' VAL . 78.3 mt -62.77 -42.07 94.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.23 -38.81 90.64 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.748 0.655 . . . . 0.0 109.57 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 44' ' ' LEU . 62.4 mt -63.4 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.493 HD11 HG13 ' B' ' 47' ' ' ILE . 19.9 mm -63.15 -43.08 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 123.632 0.582 . . . . 0.0 109.676 177.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 45' ' ' ILE . 54.8 t -61.0 -29.03 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 124.001 0.813 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.2 mmm -63.74 -45.82 88.15 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.74 -40.78 97.57 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.765 0.666 . . . . 0.0 110.344 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.84 0 O-C-N 124.124 0.89 . . . . 0.0 109.807 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -58.37 -38.12 76.62 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.28 -41.28 94.33 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.909 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.51 -45.46 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -65.16 -40.29 94.14 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.506 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.11 -40.41 93.66 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.15 -43.16 99.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.79 -46.06 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.272 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.77 -41.6 99.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.086 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -63.51 -40.41 96.98 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.065 0.853 . . . . 0.0 110.261 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.38 94.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.95 -42.59 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.91 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.492 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.18 -42.89 95.95 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.767 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.492 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -67.9 -43.32 79.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.867 0.729 . . . . 0.0 109.699 178.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.21 113.34 2.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.55 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -52.89 116.99 2.63 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.483 1.115 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 42.0 pt -75.1 -166.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.755 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -76.61 104.13 6.95 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mtt 60.02 69.65 1.18 Allowed Pre-proline 0 CA--C 1.553 1.084 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.734 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.92 148.49 51.63 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.818 2.346 . . . . 0.0 112.596 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.73 -27.1 67.35 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.183 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.24 -45.87 89.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.992 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.66 81.94 1.68 Allowed 'General case' 0 C--N 1.347 0.497 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.769 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -87.81 -74.41 0.45 Allowed 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.638 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.05 -38.47 62.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 123.943 0.777 . . . . 0.0 110.51 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -61.05 -46.9 88.81 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.491 0.495 . . . . 0.0 109.747 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.31 -41.67 98.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -37.16 86.72 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -55.7 -47.28 77.08 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.77 -44.42 96.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 124.675 1.234 . . . . 0.0 110.341 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.94 -48.6 78.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.029 0.831 . . . . 0.0 112.155 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.45 -45.42 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.629 0.581 . . . . 0.0 109.571 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -62.89 -44.95 94.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.742 0.651 . . . . 0.0 110.144 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' B' ' 39' ' ' LEU . 36.4 t80 -61.66 -47.19 86.47 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.981 0.8 . . . . 0.0 110.553 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -61.66 -37.95 85.94 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 40' ' ' ILE . 33.3 mt -65.96 -72.07 0.17 Allowed 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 175.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -31.92 -41.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 125.078 1.486 . . . . 0.0 110.88 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -62.18 -44.89 95.58 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.574 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.763 HD11 ' SG ' ' A' ' 41' ' ' CYS . 3.0 mm -63.54 -41.66 93.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 123.461 0.704 . . . . 0.0 109.127 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 21.9 m -55.18 -49.67 71.31 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.5 -40.42 97.04 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.472 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 43' ' ' LEU . 12.7 tp -73.86 -26.79 60.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.146 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' C' ' 40' ' ' ILE . 8.8 mt -71.15 -37.86 72.22 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.492 ' O ' HG23 ' B' ' 49' ' ' VAL . 76.1 mt -63.05 -41.84 94.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.16 -39.29 92.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.791 0.682 . . . . 0.0 109.673 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 44' ' ' LEU . 60.1 mt -63.22 -43.4 98.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.47 HD11 HG13 ' C' ' 47' ' ' ILE . 19.6 mm -63.76 -43.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.6 t -60.74 -30.48 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 123.8 0.687 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.2 mmm -63.47 -45.26 91.59 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.76 -40.85 97.71 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.821 0.701 . . . . 0.0 110.535 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 117.457 -1.258 . . . . 0.0 109.719 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.26 -37.84 78.63 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.13 -41.17 95.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.178 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.65 -45.82 96.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.047 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -64.49 -40.54 95.86 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.526 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.32 -40.42 94.16 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.418 ' O ' HD13 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.23 -43.03 99.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -62.66 -46.24 89.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.59 -41.66 99.1 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.27 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -63.36 -40.43 97.24 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.148 0.905 . . . . 0.0 110.333 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.49 93.45 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.705 0.628 . . . . 0.0 109.834 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.82 -42.69 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.958 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.496 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -59.84 -42.81 94.42 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.496 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -68.33 -43.42 77.56 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.647 178.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.63 112.82 1.95 Allowed 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.604 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -54.31 117.87 3.64 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 124.361 1.038 . . . . 0.0 110.784 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 pt -76.02 -165.05 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.709 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -77.98 106.27 9.73 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.0 mtt 59.45 68.42 1.56 Allowed Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.817 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -71.43 148.94 55.51 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.789 2.326 . . . . 0.0 112.58 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.35 -28.4 68.63 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.039 0.837 . . . . 0.0 108.88 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.79 -45.52 89.68 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.731 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.0 81.83 1.67 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.048 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -88.69 -72.85 0.52 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.706 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -53.61 -39.07 64.61 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.768 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.17 -46.38 90.73 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.355 0.409 . . . . 0.0 110.07 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.78 -42.21 99.6 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -37.72 88.39 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.001 0.188 . . . . 0.0 110.701 177.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -56.25 -46.15 79.74 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.92 -44.31 93.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.444 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -62.63 -48.02 81.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.954 0.784 . . . . 0.0 112.537 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.65 -45.27 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -63.29 -44.28 95.49 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.798 0.686 . . . . 0.0 110.026 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' C' ' 39' ' ' LEU . 37.2 t80 -61.05 -46.2 91.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.79 0.681 . . . . 0.0 110.863 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -59.29 -53.43 58.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.145 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.427 ' HB3' ' SG ' ' D' ' 36' ' ' CYS . 44.0 mt -52.37 -73.21 0.04 OUTLIER 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -33.33 -44.01 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.837 0 O-C-N 124.077 0.861 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.4 mt -61.3 -44.2 97.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.81 HD11 ' SG ' ' B' ' 41' ' ' CYS . 4.8 mm -62.99 -42.03 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.0 m -55.92 -48.48 75.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -64.03 -39.9 95.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.838 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.98 -26.72 59.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.908 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' D' ' 40' ' ' ILE . 9.6 mt -70.21 -38.43 75.28 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.501 ' O ' HG23 ' C' ' 49' ' ' VAL . 72.3 mt -63.05 -41.75 94.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.37 -38.48 89.72 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' C' ' 44' ' ' LEU . 58.9 mt -63.45 -43.33 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' D' ' 47' ' ' ILE . 19.7 mm -63.2 -42.99 98.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' VAL . . . . . 0.501 HG23 ' O ' ' C' ' 45' ' ' ILE . 53.4 t -60.22 -30.43 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.691 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 86.9 mmm -63.63 -45.22 91.25 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.92 -40.53 96.69 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.7 0.625 . . . . 0.0 110.581 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 O-C-N 123.585 0.553 . . . . 0.0 110.062 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.37 -37.9 79.12 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.45 -41.22 93.66 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.034 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.016 0.823 . . . . 0.0 109.101 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -64.75 -40.56 95.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.529 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.23 -40.4 93.88 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -62.08 -43.15 99.45 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.209 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.71 -46.03 90.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.174 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -62.95 -41.2 99.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.172 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -63.88 -40.35 96.34 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.003 0.814 . . . . 0.0 110.391 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.35 93.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.51 0.506 . . . . 0.0 109.674 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.75 -42.68 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.979 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.08 -42.87 95.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.751 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -68.3 -43.49 77.55 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.98 0.8 . . . . 0.0 109.641 178.725 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.23 111.53 1.69 Allowed 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.394 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.6 p -51.64 116.78 2.27 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 124.352 1.033 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.61 -165.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.958 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -77.84 107.44 10.35 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtt 58.54 67.9 1.94 Allowed Pre-proline 0 CA--C 1.557 1.239 0 O-C-N 123.834 0.709 . . . . 0.0 109.884 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.41 148.77 55.29 Favored 'Trans proline' 0 N--CA 1.502 1.983 0 C-N-CA 122.667 2.244 . . . . 0.0 112.328 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.28 -25.64 66.96 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.063 0.852 . . . . 0.0 109.012 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -58.95 -48.12 82.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.508 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.07 86.31 2.46 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.919 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -90.57 -73.81 0.52 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.263 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.43 -39.48 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.736 0.647 . . . . 0.0 110.471 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -60.87 -46.92 88.7 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.272 0.983 . . . . 0.0 110.041 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.93 -42.4 99.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.08 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -36.65 84.45 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 122.247 0.219 . . . . 0.0 110.692 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -57.5 -45.65 84.69 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.94 -44.69 92.09 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 124.58 1.175 . . . . 0.0 110.066 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.89 -48.47 78.84 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.963 0.789 . . . . 0.0 111.93 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.43 -46.52 95.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 O-C-N 123.76 0.662 . . . . 0.0 109.382 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -61.99 -44.16 97.33 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 124.201 0.938 . . . . 0.0 110.043 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' D' ' 39' ' ' LEU . 35.2 t80 -60.73 -45.32 94.73 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.78 0.675 . . . . 0.0 110.612 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -59.73 -54.17 49.42 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' E' ' 33' ' ' ILE . 16.9 mt -51.31 -72.82 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.24 -43.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 125.2 1.563 . . . . 0.0 110.933 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' D' ' 35' ' ' PHE . 31.3 mt -62.42 -44.52 96.24 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 177.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.8 HD11 ' SG ' ' C' ' 41' ' ' CYS . 4.6 mm -63.5 -41.03 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 33.5 m -57.93 -47.1 83.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.803 0.689 . . . . 0.0 109.48 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.29 -41.35 96.92 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.335 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' D' ' 43' ' ' LEU . 7.5 tp -65.23 -51.01 63.63 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.63 0.581 . . . . 0.0 109.454 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' E' ' 40' ' ' ILE . 10.0 mt -51.46 -37.69 50.09 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.045 0.538 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.492 ' O ' HG23 ' D' ' 49' ' ' VAL . 69.8 mt -63.57 -42.74 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.26 -37.67 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' D' ' 44' ' ' LEU . 84.5 mt -63.42 -43.05 98.3 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.407 HG13 HD11 ' E' ' 43' ' ' LEU . 3.4 mm -62.97 -43.07 98.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.018 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.492 HG23 ' O ' ' D' ' 45' ' ' ILE . 53.1 t -62.82 -27.88 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 123.974 0.796 . . . . 0.0 111.277 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.28 -45.54 90.99 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -40.69 97.87 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.168 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.99 -38.22 75.69 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.26 -41.06 94.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.843 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.82 -45.16 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 123.904 0.752 . . . . 0.0 109.228 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.36 -40.25 93.35 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 123.929 0.768 . . . . 0.0 109.405 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.01 -40.34 93.19 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.417 ' O ' HD13 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.05 -43.21 99.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 m -62.84 -45.97 90.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.334 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.86 -41.31 99.33 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.182 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -63.71 -40.32 96.48 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.994 0.809 . . . . 0.0 110.22 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.23 94.56 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.95 -42.73 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.016 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.17 -42.85 95.84 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.714 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -68.04 -43.44 78.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.701 178.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.84 112.14 1.6 Allowed 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.422 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 15.3 p -51.17 115.98 1.81 Allowed 'General case' 0 C--O 1.236 0.365 0 O-C-N 124.21 0.944 . . . . 0.0 110.76 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.01 -165.19 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.864 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -77.63 106.62 9.54 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mtt 59.15 68.75 1.52 Allowed Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 123.944 0.777 . . . . 0.0 109.798 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -71.88 148.33 51.56 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.451 2.101 . . . . 0.0 112.334 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.15 -26.01 67.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.208 0.943 . . . . 0.0 109.034 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -58.25 -48.5 80.2 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.461 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.17 85.77 2.33 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.97 1.419 . . . . 0.0 108.572 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -90.26 -74.82 0.48 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.63 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.98 -39.79 56.35 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.564 0.346 . . . . 0.0 110.84 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -60.21 -45.77 92.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.288 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.91 -42.21 97.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.58 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -35.7 81.95 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.924 0.329 . . . . 0.0 110.334 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -57.24 -46.4 83.03 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.52 -44.22 94.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.635 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -62.35 -49.29 76.17 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.958 0.786 . . . . 0.0 112.289 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' D' ' 37' ' ' LEU . 76.8 mt -64.07 -44.74 97.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 123.465 0.478 . . . . 0.0 109.981 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.63 -44.64 96.61 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.874 0.734 . . . . 0.0 109.465 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.1 t80 -60.6 -45.25 94.69 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.81 0.694 . . . . 0.0 110.804 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -59.81 -55.19 37.26 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 121.27 0.557 . . . . 0.0 109.843 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -56.89 -44.33 82.18 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.2 0.6 . . . . 0.0 110.458 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -58.73 -40.83 80.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.142 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' E' ' 35' ' ' PHE . 30.2 mt -63.86 -40.5 96.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.794 HD11 ' SG ' ' D' ' 41' ' ' CYS . 5.0 mm -64.39 -42.29 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 57.9 m -57.68 -47.51 82.11 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.37 -43.64 97.03 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.149 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.2 tp -66.46 -50.18 64.19 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.618 ' CD1' HD12 ' A' ' 40' ' ' ILE . 12.4 mt -50.54 -37.17 37.89 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 118.198 0.454 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.515 ' O ' HG23 ' E' ' 49' ' ' VAL . 68.5 mt -63.31 -43.31 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.25 -35.56 81.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.587 0.554 . . . . 0.0 109.634 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.7 mt -63.06 -43.65 99.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.484 HD11 HG13 ' A' ' 47' ' ' ILE . 19.5 mm -63.55 -43.0 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.515 HG23 ' O ' ' E' ' 45' ' ' ILE . 77.1 t -60.75 -28.81 43.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -63.21 -46.53 86.59 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.17 -40.98 99.08 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.94 0.775 . . . . 0.0 110.52 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.03 -39.55 93.52 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 123.625 0.578 . . . . 0.0 109.54 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -65.3 -43.31 91.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.32 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.2 -46.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.64 -46.27 90.5 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.94 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.37 -41.18 96.66 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 124.02 0.825 . . . . 0.0 109.451 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.3 tm? -61.33 -45.37 94.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.37 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.77 -46.61 87.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.786 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.42 -46.02 91.86 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -62.78 -41.1 99.09 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.221 0.95 . . . . 0.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.17 76.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.822 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.61 -42.83 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.147 0.904 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.61 -45.78 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.488 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -76.79 -48.32 18.95 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.734 0.646 . . . . 0.0 110.04 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 100.31 0.41 Allowed 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.121 0.888 . . . . 0.0 111.918 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 p -43.07 95.53 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.816 1.647 . . . . 0.0 114.813 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -140.68 113.06 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.43 21.09 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 108.83 1.31 Allowed Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.415 0.552 . . . . 0.0 109.752 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.67 123.02 10.0 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 121.967 1.778 . . . . 0.0 112.726 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.63 -54.97 17.58 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.893 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -170.38 -72.73 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.046 -1.434 . . . . 0.0 107.235 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.98 0.23 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -95.88 -139.77 0.26 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.687 -1.597 . . . . 0.0 112.339 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -48.65 78.22 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.76 -48.07 82.47 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.632 0.583 . . . . 0.0 109.477 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.61 -36.3 83.79 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 124.777 1.298 . . . . 0.0 110.088 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' N ' HD21 ' E' ' 30' ' ' ASN . 4.3 tt0 -65.84 -39.88 91.23 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.474 HD21 ' N ' ' B' ' 29' ' ' GLN . 3.6 m120 -62.69 -45.09 94.39 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.2 -43.0 99.4 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.179 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -78.77 -60.27 2.45 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.634 HG23 HD11 ' E' ' 37' ' ' LEU . 56.0 mt -62.7 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.522 -175.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -61.33 -40.37 93.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.272 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 64.8 t80 -56.86 -44.36 82.12 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.202 0.939 . . . . 0.0 109.642 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -67.45 -50.95 56.95 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.379 1.049 . . . . 0.0 110.749 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.624 HD11 HG23 ' B' ' 33' ' ' ILE . 52.7 mt -56.36 -45.09 80.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.445 0.465 . . . . 0.0 110.455 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.1 -44.44 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 126.161 2.163 . . . . 0.0 108.289 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 31.8 mt -63.03 -43.1 99.61 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 178.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' SG ' ' E' ' 41' ' ' CYS . 1.7 mm -63.18 -42.85 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 71.3 m -57.47 -47.94 80.52 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.605 0.565 . . . . 0.0 109.489 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 45' ' ' ILE . 55.8 mt -63.0 -39.78 95.8 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.658 1.224 . . . . 0.0 110.874 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' E' ' 44' ' ' LEU . 15.2 tp -75.33 -24.88 57.43 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.586 0.554 . . . . 0.0 111.513 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' B' ' 43' ' ' LEU . 6.1 mt -72.21 -34.78 68.61 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 42' ' ' LEU . 61.5 mt -62.45 -41.38 91.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.19 -40.51 96.29 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.456 HG13 HD11 ' E' ' 48' ' ' ILE . 92.7 mt -64.36 -43.03 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD11 HG13 ' B' ' 47' ' ' ILE . 1.8 mm -61.81 -45.53 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 124.283 0.989 . . . . 0.0 110.223 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.19 -45.98 97.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.2 mmm -66.52 -32.21 73.43 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.086 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.56 -39.23 74.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.009 177.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.96 -39.57 94.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.709 0.631 . . . . 0.0 109.324 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.14 -42.82 93.47 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.336 1.022 . . . . 0.0 109.412 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.53 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.114 0.884 . . . . 0.0 108.755 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.36 -45.69 92.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 124.348 1.03 . . . . 0.0 110.012 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -61.18 -41.12 96.23 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.881 0.738 . . . . 0.0 109.538 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.446 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.3 tm? -61.76 -44.56 96.65 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.65 -46.33 88.72 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.805 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -63.01 -43.36 98.99 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.502 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -64.43 -36.79 85.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.952 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.5 57.5 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.95 -45.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.089 0.868 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -60.93 -42.17 97.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.253 0.345 . . . . 0.0 110.537 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -71.76 -46.18 59.25 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 123.63 0.581 . . . . 0.0 109.632 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 97.64 0.75 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.035 0.834 . . . . 0.0 111.228 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -42.51 93.8 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.768 1.627 . . . . 0.0 114.976 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -140.1 112.69 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 20.89 0.05 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 105.34 0.51 Allowed Pre-proline 0 N--CA 1.484 1.241 0 CA-C-N 118.472 0.578 . . . . 0.0 110.736 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' B' ' 28' ' ' LEU . 31.2 Cg_exo -60.17 121.05 9.18 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 122.478 2.118 . . . . 0.0 112.8 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.26 -55.35 10.77 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -170.51 -74.92 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 113.848 -1.524 . . . . 0.0 107.395 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.29 28.52 0.29 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -96.03 -139.45 0.26 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.23 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -48.7 75.42 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 125.182 1.551 . . . . 0.0 114.119 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.2 -48.34 81.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.662 0.601 . . . . 0.0 109.522 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' B' ' 21' ' ' PRO . 2.9 mm? -65.66 -34.98 79.47 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.235 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.475 ' HG2' HD12 ' B' ' 33' ' ' ILE . 4.5 tt0 -66.28 -40.06 89.81 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.477 HD21 ' N ' ' C' ' 29' ' ' GLN . 3.6 m120 -62.68 -44.78 95.38 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.79 -42.58 97.7 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.045 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.86 -60.01 2.51 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' LEU . 53.6 mt -62.34 -46.74 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.12 -175.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -61.31 -40.27 93.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.107 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 67.1 t80 -56.87 -44.41 82.2 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.979 0.8 . . . . 0.0 109.663 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -67.77 -51.63 46.76 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.483 178.625 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD1' HG23 ' C' ' 33' ' ' ILE . 46.0 mt -55.88 -43.18 76.95 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -42.46 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.113 1.508 . . . . 0.0 108.574 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 33.0 mt -62.99 -43.71 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 123.62 0.575 . . . . 0.0 109.875 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.536 HD11 ' SG ' ' A' ' 41' ' ' CYS . 2.1 mm -62.59 -43.45 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.7 m -57.54 -48.69 78.62 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' B' ' 45' ' ' ILE . 57.9 mt -62.5 -41.75 99.03 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 124.64 1.212 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.4 tp -65.95 -49.79 66.65 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.484 HD13 HG23 ' C' ' 40' ' ' ILE . 4.4 mt -51.99 -34.33 42.13 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.012 0.369 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' B' ' 42' ' ' LEU . 60.1 mt -62.88 -42.56 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.16 -37.97 89.37 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.504 HG13 HD11 ' A' ' 48' ' ' ILE . 81.4 mt -63.72 -43.92 98.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.455 HD11 HG13 ' C' ' 47' ' ' ILE . 1.7 mm -61.73 -44.79 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 124.16 0.912 . . . . 0.0 110.346 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 82.2 mmm -66.88 -32.31 73.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.923 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.78 -40.31 84.01 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.039 177.712 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.58 -38.46 89.58 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.71 -43.04 90.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.195 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -44.79 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -61.26 -48.38 81.68 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.96 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.33 -40.25 89.96 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 124.185 0.928 . . . . 0.0 109.996 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.43 ' O ' HD13 ' C' ' 7' ' ' LEU . 1.2 tm? -62.17 -45.91 91.3 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.718 0.637 . . . . 0.0 109.316 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -63.16 -46.98 84.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -61.54 -44.69 96.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.464 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t -62.38 -42.84 99.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.127 0.892 . . . . 0.0 110.638 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.85 78.03 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.96 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.75 -42.95 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.042 0.839 . . . . 0.0 110.111 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -55.85 -43.85 77.47 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.257 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -76.61 -64.91 1.01 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 103.67 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.357 1.035 . . . . 0.0 112.825 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 36.1 p -42.34 94.53 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.882 1.673 . . . . 0.0 115.118 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -140.49 111.89 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 19.15 0.05 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.83 105.52 0.54 Allowed Pre-proline 0 N--CA 1.479 0.993 0 CA-C-N 118.481 0.582 . . . . 0.0 111.122 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' C' ' 28' ' ' LEU . 32.0 Cg_exo -59.54 122.24 11.16 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.213 1.942 . . . . 0.0 113.278 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -70.48 -55.59 8.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLN . . . . . 0.401 ' H ' HD23 ' C' ' 28' ' ' LEU . 7.9 tt0 -169.94 -75.7 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.732 -1.576 . . . . 0.0 107.011 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.56 29.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -97.88 -140.9 0.3 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.444 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -48.56 74.76 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.18 -48.23 80.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.15 0.5 . . . . 0.0 109.98 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' C' ' 21' ' ' PRO . 2.9 mm? -66.45 -34.27 77.55 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.477 ' N ' HD21 ' B' ' 30' ' ' ASN . 4.3 tt0 -67.27 -39.7 86.08 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ASN . . . . . 0.474 HD21 ' N ' ' D' ' 29' ' ' GLN . 3.6 m120 -62.24 -44.41 96.61 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.07 -42.2 97.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.858 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -80.04 -59.44 2.72 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' B' ' 37' ' ' LEU . 52.5 mt -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 118.82 -0.61 . . . . 0.0 112.299 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -60.88 -40.36 92.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.992 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 71.8 t80 -57.57 -44.14 85.09 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.705 0.628 . . . . 0.0 109.393 177.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -65.05 -57.35 8.89 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 123.664 0.602 . . . . 0.0 109.813 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' D' ' 33' ' ' ILE . 37.9 mt -46.55 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -32.76 -46.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 124.962 1.414 . . . . 0.0 110.456 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.2 mt -63.87 -44.72 92.23 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 120.536 0.207 . . . . 0.0 111.384 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.529 HD11 ' SG ' ' B' ' 41' ' ' CYS . 2.6 mm -61.08 -43.27 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.1 m -56.8 -47.84 79.31 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.018 0.824 . . . . 0.0 109.309 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.9 mt -64.57 -37.68 88.39 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.13 -26.64 56.55 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.415 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.697 ' CD1' HD12 ' D' ' 40' ' ' ILE . 6.4 mt -69.75 -36.18 75.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' C' ' 42' ' ' LEU . 65.3 mt -61.78 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.7 -41.07 97.11 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.455 HG13 HD11 ' B' ' 48' ' ' ILE . 60.0 mt -65.63 -41.96 91.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.471 HD11 HG13 ' D' ' 47' ' ' ILE . 1.9 mm -60.77 -45.44 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 123.766 0.667 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.29 -45.86 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 76.0 mmm -65.91 -33.23 75.36 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.3 1.0 . . . . 0.0 111.32 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 41.5 tp -70.69 -38.74 73.71 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.544 0.75 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 177.422 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtp . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.32 -37.63 85.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.17 -42.83 93.32 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.324 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.42 -45.07 99.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.335 1.022 . . . . 0.0 108.507 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.13 -46.27 89.78 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 124.401 1.063 . . . . 0.0 109.884 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.24 -41.19 96.45 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.787 0.679 . . . . 0.0 109.743 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.3 tm? -61.42 -45.28 94.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.7 0.625 . . . . 0.0 109.319 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.82 -46.7 86.74 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -61.35 -45.92 92.38 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.357 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -62.7 -41.08 98.94 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.148 0.905 . . . . 0.0 111.182 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.78 77.95 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.789 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.77 -42.75 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 124.111 0.882 . . . . 0.0 110.139 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.6 -45.92 77.37 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.254 0.971 . . . . 0.0 110.529 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -76.72 -48.5 18.63 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.666 0.604 . . . . 0.0 110.205 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.53 100.92 0.4 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.898 0.749 . . . . 0.0 111.954 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -42.71 95.08 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.897 1.679 . . . . 0.0 114.933 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 85.2 mt -140.11 113.0 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 20.89 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 108.81 1.32 Allowed Pre-proline 0 N--CA 1.479 1.02 0 CA-C-N 118.52 0.6 . . . . 0.0 109.672 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -68.45 123.35 10.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.074 1.849 . . . . 0.0 112.749 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.4 -55.17 17.06 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 124.361 1.038 . . . . 0.0 108.816 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' GLN . . . . . 0.407 ' H ' HD23 ' D' ' 28' ' ' LEU . 8.4 tt0 -170.44 -72.3 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 107.404 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.7 27.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -96.62 -140.28 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.033 -1.44 . . . . 0.0 112.226 -176.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -49.95 70.41 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 125.204 1.565 . . . . 0.0 114.005 -176.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.76 -47.31 85.1 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' D' ' 28' ' ' LEU . 3.0 mm? -66.4 -33.69 76.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.047 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.521 ' HG2' HD12 ' D' ' 33' ' ' ILE . 4.4 tt0 -68.16 -39.69 82.52 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ASN . . . . . 0.469 HD21 ' N ' ' E' ' 29' ' ' GLN . 3.6 m120 -62.07 -44.55 96.43 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.07 -42.62 96.93 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.258 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -80.23 -59.86 2.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' C' ' 37' ' ' LEU . 57.0 mt -62.66 -46.22 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.292 -175.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -61.21 -41.1 96.24 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.555 0.616 . . . . 0.0 110.24 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.73 -43.84 81.06 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.829 0.705 . . . . 0.0 109.617 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -67.0 -53.23 33.44 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.634 0.584 . . . . 0.0 110.587 178.627 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.545 HD11 HG23 ' E' ' 33' ' ' ILE . 40.6 mt -55.26 -46.04 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.53 -42.96 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 125.27 1.607 . . . . 0.0 108.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.02 -42.5 99.82 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 123.549 0.531 . . . . 0.0 110.007 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' C' ' 41' ' ' CYS . 28.0 mm -64.68 -42.57 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 77.8 m -56.51 -47.85 78.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 45' ' ' ILE . 58.9 mt -63.69 -40.05 95.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.426 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' C' ' 44' ' ' LEU . 15.7 tp -75.8 -25.36 56.3 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.492 0.495 . . . . 0.0 111.467 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.501 ' CD1' HG23 ' E' ' 40' ' ' ILE . 5.4 mt -71.61 -34.65 70.04 Favored 'General case' 0 C--N 1.347 0.492 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' D' ' 42' ' ' LEU . 61.7 mt -62.01 -41.13 89.84 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.75 -41.11 99.04 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.471 HG13 HD11 ' C' ' 48' ' ' ILE . 93.5 mt -64.21 -43.03 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.444 HD11 HG13 ' E' ' 47' ' ' ILE . 1.9 mm -61.9 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 123.965 0.791 . . . . 0.0 110.176 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.61 -45.65 96.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.673 0.608 . . . . 0.0 109.453 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.94 -32.62 74.23 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 124.3 1.0 . . . . 0.0 111.417 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.0 -39.21 72.56 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.214 -0.766 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.88 177.838 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.32 -39.29 92.27 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.37 -43.36 91.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.401 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.41 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 O-C-N 124.297 0.998 . . . . 0.0 108.35 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -46.01 91.46 Favored 'General case' 0 C--N 1.344 0.358 0 O-C-N 124.483 1.114 . . . . 0.0 109.86 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.28 -41.31 96.73 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.094 0.872 . . . . 0.0 109.616 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.441 ' O ' HD13 ' E' ' 7' ' ' LEU . 1.3 tm? -61.58 -45.26 94.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.92 -46.51 87.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.729 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.74 -45.34 94.33 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.346 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -63.05 -41.22 99.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 124.212 0.945 . . . . 0.0 111.069 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.87 77.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.745 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.78 -42.75 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.141 0.901 . . . . 0.0 109.934 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -55.46 -44.01 76.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.183 0.927 . . . . 0.0 110.026 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -76.84 -66.1 0.86 Allowed 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.51 103.12 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.312 1.008 . . . . 0.0 112.915 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -42.16 95.18 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.9 1.68 . . . . 0.0 115.142 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 85.9 mt -141.3 111.41 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.05 21.24 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.99 105.5 0.54 Allowed Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 118.641 0.655 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.467 ' HB3' HD11 ' E' ' 28' ' ' LEU . 32.2 Cg_exo -59.8 122.93 12.23 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 121.962 1.775 . . . . 0.0 113.211 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.62 -56.24 6.94 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -170.26 -73.45 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.723 -1.58 . . . . 0.0 107.109 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.54 28.47 0.23 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -96.02 -140.55 0.26 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.506 -1.224 . . . . 0.0 112.811 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -48.7 74.31 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 124.901 1.376 . . . . 0.0 114.09 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.25 -49.42 77.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' E' ' 21' ' ' PRO . 2.9 mm? -64.16 -37.32 87.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.272 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.469 ' N ' HD21 ' D' ' 30' ' ' ASN . 4.4 tt0 -65.4 -39.46 92.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 123.051 0.219 . . . . 0.0 110.422 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 30' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 29' ' ' GLN . 3.5 m120 -62.52 -44.54 96.11 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.97 -42.49 97.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.707 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.54 -59.31 2.8 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' D' ' 37' ' ' LEU . 58.9 mt -64.11 -45.38 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.839 -175.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -61.02 -40.52 93.89 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.664 0.665 . . . . 0.0 109.885 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 70.7 t80 -57.97 -44.27 86.97 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.869 0.731 . . . . 0.0 109.247 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.86 -55.33 17.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 118.177 -0.915 . . . . 0.0 109.713 178.156 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 33' ' ' ILE . 36.9 mt -47.75 -73.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -32.97 -46.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 125.637 1.836 . . . . 0.0 110.116 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.1 mt -64.38 -44.29 91.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 122.438 -0.164 . . . . 0.0 110.849 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.544 HD11 ' SG ' ' D' ' 41' ' ' CYS . 2.0 mm -61.66 -43.65 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 50.1 m -57.04 -46.95 82.03 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 123.617 0.573 . . . . 0.0 109.544 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' E' ' 45' ' ' ILE . 53.2 mt -64.15 -39.1 93.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.323 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' D' ' 44' ' ' LEU . 14.9 tp -74.64 -25.03 58.94 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.525 0.516 . . . . 0.0 111.456 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.444 ' CD1' HD13 ' A' ' 40' ' ' ILE . 4.2 mt -72.05 -34.76 69.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' E' ' 42' ' ' LEU . 64.1 mt -62.19 -41.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.45 -40.68 97.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.444 HG13 HD11 ' D' ' 48' ' ' ILE . 93.6 mt -64.63 -42.73 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.456 HD11 HG13 ' A' ' 47' ' ' ILE . 1.9 mm -61.57 -45.85 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.661 0.784 . . . . 0.0 110.046 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.55 -45.82 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 123.901 0.75 . . . . 0.0 109.412 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 79.6 mmm -66.22 -31.96 73.09 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.293 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 tp -71.14 -39.25 72.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.54 0.563 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.765 177.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.85 -40.74 98.4 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.784 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.469 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.86 -43.11 99.5 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.086 0.866 . . . . 0.0 109.587 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -62.42 -45.57 92.48 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.39 -42.96 99.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.027 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -64.59 -40.07 94.86 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.101 0.875 . . . . 0.0 110.713 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.5 93.87 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.89 -42.78 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 124.149 0.906 . . . . 0.0 108.896 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -59.34 -42.1 90.73 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.541 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.191 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -82.85 -58.72 2.76 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.434 ' N ' HD21 ' E' ' 34' ' ' ASN . 58.7 mt -61.92 -47.1 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 118.923 -0.56 . . . . 0.0 112.503 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.478 HD21 ' N ' ' B' ' 33' ' ' ILE . 32.8 m120 -62.76 -41.41 99.21 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.306 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.0 t80 -57.01 -45.72 82.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 123.289 0.368 . . . . 0.0 110.053 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -51.41 61.55 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.407 1.067 . . . . 0.0 110.182 179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' B' ' 33' ' ' ILE . 71.3 mt -58.64 -44.83 90.17 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 123.606 0.566 . . . . 0.0 111.16 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.28 -42.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.464 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.0 mt -63.27 -42.73 99.17 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG23 HD13 ' E' ' 44' ' ' LEU . 1.2 mm -63.87 -43.99 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 123.681 0.613 . . . . 0.0 109.533 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.7 m -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.6 mt -63.47 -39.06 93.45 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.549 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' LEU . 13.9 tp -73.31 -25.99 60.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.243 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.634 ' CD1' HD13 ' B' ' 40' ' ' ILE . 1.8 mt -73.56 -36.68 65.64 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 42' ' ' LEU . 58.5 mt -61.55 -41.14 89.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 C--O 1.238 0.464 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.85 -40.71 98.29 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.047 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.446 HD13 ' C ' ' B' ' 7' ' ' LEU . 3.2 tm? -62.03 -43.29 99.16 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.287 0.992 . . . . 0.0 109.552 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.16 -45.33 93.89 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.52 -42.99 99.88 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.172 0.92 . . . . 0.0 109.864 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -40.16 95.04 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.062 0.851 . . . . 0.0 110.609 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.49 94.48 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.871 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.91 -42.69 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.859 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.0 ttp180 -59.4 -42.2 91.19 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.36 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.392 0 O-C-N 123.904 0.753 . . . . 0.0 110.197 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -80.94 -59.42 2.68 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.478 ' N ' HD21 ' A' ' 34' ' ' ASN . 61.9 mt -62.07 -48.08 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.41 HD21 ' N ' ' C' ' 33' ' ' ILE . 33.6 m120 -61.97 -40.87 97.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.291 0.496 . . . . 0.0 110.623 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 56.1 t80 -57.65 -46.58 84.03 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 123.724 0.64 . . . . 0.0 109.797 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.03 -37.21 81.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.944 0.777 . . . . 0.0 112.307 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 39.9 mt -67.79 -46.6 71.5 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.669 0.747 . . . . 0.0 109.727 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.32 -42.19 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.824 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.3 mt -62.1 -42.85 99.63 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.53 0.518 . . . . 0.0 110.052 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 44' ' ' LEU . 1.1 mm -64.79 -43.29 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 80.0 m -58.01 -48.66 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.939 0.774 . . . . 0.0 109.795 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.0 mt -63.31 -39.98 96.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.465 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.4 tp -72.84 -25.05 60.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.21 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.618 HD13 HG23 ' C' ' 40' ' ' ILE . 1.6 mt -74.14 -36.06 64.13 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.8 mt -62.54 -41.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.349 0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.459 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -63.78 -40.23 96.18 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.811 0.694 . . . . 0.0 109.743 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.46 -42.13 99.26 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.165 0.916 . . . . 0.0 109.574 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.93 -46.29 88.49 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.77 -42.3 99.62 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 124.263 0.977 . . . . 0.0 109.91 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.019 0.928 . . . . 0.0 110.421 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.4 90.87 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.101 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -42.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.157 0.911 . . . . 0.0 109.041 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.462 HH21 HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -59.58 -41.71 90.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.397 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.462 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.41 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.306 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 119.948 -0.072 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -82.04 -59.23 2.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 57.3 mt -62.49 -46.78 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.462 HD21 ' N ' ' D' ' 33' ' ' ILE . 32.3 m120 -60.91 -41.46 96.15 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.987 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 57.6 t80 -58.75 -45.53 89.5 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 123.437 0.461 . . . . 0.0 109.842 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.81 -53.29 56.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.318 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.443 HD11 HG23 ' D' ' 33' ' ' ILE . 61.7 mt -53.3 -74.47 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -32.73 -45.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 124.746 1.279 . . . . 0.0 111.666 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 24.9 mt -61.95 -47.11 86.36 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.618 HG23 HD13 ' B' ' 44' ' ' LEU . 49.4 mt -64.31 -41.93 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.122 0.889 . . . . 0.0 109.699 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 57.8 m -55.43 -47.95 75.18 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' C' ' 45' ' ' ILE . 50.3 mt -64.08 -37.81 88.78 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.546 1.154 . . . . 0.0 110.742 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.0 tp -73.59 -26.86 61.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.531 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.612 ' CD1' HD13 ' D' ' 40' ' ' ILE . 1.0 OUTLIER -71.72 -38.01 70.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' C' ' 42' ' ' LEU . 63.4 mt -61.4 -41.12 88.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.94 -42.92 99.15 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.705 0.628 . . . . 0.0 109.409 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.171 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.03 -40.49 97.9 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 123.927 0.767 . . . . 0.0 109.778 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.436 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.2 tm? -62.09 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.765 0.665 . . . . 0.0 109.473 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -61.87 -45.66 92.79 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.42 -43.06 99.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.961 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.38 -40.21 95.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.077 0.861 . . . . 0.0 110.727 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.3 93.77 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.729 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.95 -42.74 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.845 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.452 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -59.16 -42.08 89.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.596 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.452 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.242 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -81.29 -59.54 2.6 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.462 ' N ' HD21 ' C' ' 34' ' ' ASN . 60.7 mt -62.21 -47.41 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.543 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.42 HD21 ' N ' ' E' ' 33' ' ' ILE . 33.2 m120 -61.92 -41.23 97.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.595 0.634 . . . . 0.0 110.517 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 56.0 t80 -57.36 -46.07 83.73 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -68.3 -38.24 81.42 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.015 0.822 . . . . 0.0 111.908 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' E' ' 33' ' ' ILE . 42.3 mt -67.39 -44.92 77.72 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.858 0.837 . . . . 0.0 110.228 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.53 -42.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.588 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.9 mt -60.56 -44.65 95.91 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' C' ' 44' ' ' LEU . 1.1 mm -64.04 -42.96 97.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.9 m -58.28 -48.25 81.06 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 124.034 0.833 . . . . 0.0 109.379 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.5 mt -63.51 -39.7 95.12 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.534 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' C' ' 44' ' ' LEU . 13.8 tp -73.6 -25.84 60.52 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.542 HD13 HG23 ' E' ' 40' ' ' ILE . 4.1 mt -72.39 -37.17 68.79 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' D' ' 42' ' ' LEU . 58.3 mt -61.99 -41.35 90.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.27 -41.89 97.71 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.539 178.102 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -63.41 -40.78 98.11 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 123.864 0.728 . . . . 0.0 109.916 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.463 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -62.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.665 0.603 . . . . 0.0 109.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.74 -45.73 91.36 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.33 -43.03 99.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.911 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.47 -39.91 94.71 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.641 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.29 93.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -65.0 -42.67 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 124.094 0.871 . . . . 0.0 108.871 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.445 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -59.45 -42.13 91.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.47 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.445 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.189 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 119.821 -0.133 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -82.09 -60.02 2.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.9 mt -61.51 -47.58 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 33' ' ' ILE . 32.8 m120 -61.72 -40.71 96.03 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.482 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 56.1 t80 -57.81 -45.4 86.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.87 -52.94 57.71 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 122.861 0.465 . . . . 0.0 110.36 178.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.37 -43.98 92.8 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.796 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.67 -43.4 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.4 mt -61.81 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.542 HG23 HD13 ' D' ' 44' ' ' LEU . 53.7 mt -66.32 -42.12 90.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 123.437 0.461 . . . . 0.0 110.235 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.3 m -56.34 -48.68 76.28 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -63.09 -39.77 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.341 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' D' ' 44' ' ' LEU . 10.3 tp -65.16 -50.72 64.89 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' E' ' 47' ' ' ILE . 2.3 mt -54.05 -35.67 62.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.68 0.392 . . . . 0.0 110.029 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' E' ' 42' ' ' LEU . 55.8 mt -62.23 -42.14 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.57 -38.44 91.0 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.4 mt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.8 -40.92 96.9 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.908 0.755 . . . . 0.0 109.189 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -43.3 99.11 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.981 0.8 . . . . 0.0 109.024 179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 m -62.4 -46.3 89.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.194 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.34 -41.63 98.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.316 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.85 -41.31 97.83 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.915 0.76 . . . . 0.0 110.305 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.19 94.17 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.63 -42.46 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.812 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -61.5 -40.05 93.19 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.177 0.923 . . . . 0.0 110.224 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.704 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.23 0.06 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.57 -49.71 70.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.325 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.97 -43.93 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.14 -40.78 98.57 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 123.652 0.595 . . . . 0.0 109.909 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.1 t80 -54.41 -48.04 72.07 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.589 0.555 . . . . 0.0 111.127 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.8 OUTLIER -64.93 -49.61 69.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 123.295 0.372 . . . . 0.0 110.286 179.31 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.15 -42.58 91.04 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.107 0.88 . . . . 0.0 110.471 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.86 -42.32 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 124.442 1.089 . . . . 0.0 108.978 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 36.3 mt -61.7 -43.0 99.69 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.724 0.64 . . . . 0.0 109.333 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.604 HD12 HD13 ' E' ' 44' ' ' LEU . 30.6 mm -64.65 -42.34 94.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.164 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 74.1 m -60.49 -48.55 81.26 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 124.304 1.002 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.49 -40.84 96.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.609 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' E' ' 44' ' ' LEU . 25.2 tp -78.42 -20.45 51.07 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.705 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.747 HD23 HD23 ' B' ' 43' ' ' LEU . 0.3 OUTLIER -70.81 -33.03 70.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.353 0.978 . . . . 0.0 109.147 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.39 -42.75 97.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.302 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 CA--C 1.538 0.504 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.7 178.015 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.84 -41.24 97.56 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.153 0.908 . . . . 0.0 109.184 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.89 -42.78 99.48 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.003 0.815 . . . . 0.0 109.023 179.46 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -62.4 -46.7 87.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.264 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -62.31 -41.62 98.69 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.334 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.12 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.3 88.79 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.274 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.22 -44.66 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.439 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.3 ptt180 -71.4 -23.41 61.87 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.492 0.495 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.439 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.225 -0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.75 -49.33 71.19 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.929 0.768 . . . . 0.0 112.058 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.46 -43.96 87.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 123.449 0.468 . . . . 0.0 110.386 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -62.99 -40.6 98.25 Favored 'General case' 0 C--O 1.209 -1.056 0 O-C-N 123.588 0.555 . . . . 0.0 109.887 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.514 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 63.5 t80 -54.73 -49.3 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.279 0.362 . . . . 0.0 111.106 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -64.4 -47.94 77.3 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.58 0.55 . . . . 0.0 109.997 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -58.36 -44.58 88.87 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 123.185 0.594 . . . . 0.0 110.125 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.66 -42.9 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.584 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 55.3 mt -61.55 -42.78 99.34 Favored 'General case' 0 C--O 1.25 1.086 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.566 HD12 HD13 ' A' ' 44' ' ' LEU . 31.0 mm -64.05 -42.69 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 71.1 m -60.94 -49.51 77.15 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 124.163 0.914 . . . . 0.0 110.185 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.04 -42.28 94.07 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 124.292 0.995 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 HD23 ' A' ' 44' ' ' LEU . 23.9 tp -70.37 -47.72 59.64 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.269 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.624 HD13 HD12 ' C' ' 40' ' ' ILE . 0.2 OUTLIER -46.09 -34.97 4.52 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.105 0.866 . . . . 0.0 111.77 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.43 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.429 177.328 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -61.91 -40.89 97.0 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.919 0.762 . . . . 0.0 109.26 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.427 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.88 -43.02 99.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.993 0.808 . . . . 0.0 109.057 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -62.45 -46.38 88.77 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.3 -41.77 98.8 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.246 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.92 0.763 . . . . 0.0 110.432 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.14 94.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.8 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.6 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.878 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -61.35 -40.1 93.0 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.268 0.98 . . . . 0.0 110.218 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.646 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.06 -49.47 72.19 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.089 0.868 . . . . 0.0 112.331 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -67.01 -43.77 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.341 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.8 -40.23 96.71 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.605 0.566 . . . . 0.0 109.608 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.541 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 70.6 t80 -56.03 -48.24 76.35 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.281 0.363 . . . . 0.0 111.212 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -63.27 -50.85 68.53 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' C' ' 40' ' ' ILE . 67.1 mt -52.8 -72.41 0.05 Allowed 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -34.12 -44.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.6 mt -62.22 -45.85 91.48 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 110.369 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.624 HD12 HD13 ' B' ' 44' ' ' LEU . 25.8 mm -62.58 -42.4 95.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.4 m -59.41 -49.58 77.27 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.509 1.13 . . . . 0.0 109.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.82 -40.21 91.91 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.011 0.82 . . . . 0.0 109.837 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 44' ' ' LEU . 26.9 tp -77.84 -20.23 53.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.9 0.75 . . . . 0.0 110.586 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.769 HD23 HD23 ' D' ' 43' ' ' LEU . 0.3 OUTLIER -71.25 -33.31 69.69 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 119.359 0.981 . . . . 0.0 108.848 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -63.65 -42.71 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.59 -38.53 91.32 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.792 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' C' ' 44' ' ' LEU . 82.8 mt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.72 -40.79 96.29 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.992 0.807 . . . . 0.0 109.232 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.81 -43.2 99.32 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -62.49 -46.17 89.69 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.44 -41.63 98.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.284 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.84 -41.29 97.85 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.927 0.767 . . . . 0.0 110.425 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.08 94.42 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.736 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.83 -42.37 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.892 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -61.5 -39.95 92.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.167 0.917 . . . . 0.0 110.155 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.643 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.458 -0.05 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.93 -50.11 69.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.026 0.829 . . . . 0.0 112.326 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.83 -43.71 89.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.22 -40.69 98.18 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 123.615 0.572 . . . . 0.0 110.17 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 63.0 t80 -54.52 -48.9 71.38 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.736 0.647 . . . . 0.0 111.304 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.57 -48.87 73.37 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 123.954 0.784 . . . . 0.0 110.567 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.92 -43.33 86.19 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.729 0.643 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.41 -43.03 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 124.949 1.406 . . . . 0.0 109.019 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 52.7 mt -61.93 -43.14 99.46 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 HD13 ' C' ' 44' ' ' LEU . 28.4 mm -63.65 -42.86 97.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 82.8 m -61.63 -48.45 80.83 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.987 0.805 . . . . 0.0 110.325 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -60.64 -42.41 96.89 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 124.16 0.913 . . . . 0.0 109.696 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.769 HD23 HD23 ' C' ' 44' ' ' LEU . 24.1 tp -69.67 -48.25 60.44 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.749 HD23 HD23 ' E' ' 43' ' ' LEU . 0.2 OUTLIER -45.52 -34.95 3.54 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.068 0.849 . . . . 0.0 112.123 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.58 -44.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -66.31 -35.59 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.419 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.1 mt . . . . . 0 C--N 1.364 1.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.85 -40.77 96.49 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 124.051 0.844 . . . . 0.0 109.215 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.429 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.13 99.47 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.984 0.802 . . . . 0.0 108.987 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 14.0 m -62.64 -46.14 89.62 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.315 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.37 -41.75 98.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.231 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.86 -41.28 97.82 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.864 0.728 . . . . 0.0 110.361 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.15 94.34 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.73 -42.38 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.878 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.5 ttp180 -61.62 -39.96 93.14 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.23 0.956 . . . . 0.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.584 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--O 1.223 -0.339 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.54 -49.63 70.48 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.159 0.912 . . . . 0.0 112.396 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.05 -44.1 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 123.43 0.457 . . . . 0.0 110.353 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -63.05 -40.57 98.11 Favored 'General case' 0 C--O 1.2 -1.507 0 O-C-N 123.487 0.492 . . . . 0.0 109.811 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 63.9 t80 -54.15 -48.8 70.45 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.283 0.365 . . . . 0.0 111.181 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.74 -48.93 72.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.045 0.45 . . . . 0.0 110.24 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.9 -42.74 94.52 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.76 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.33 -42.76 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 124.718 1.261 . . . . 0.0 108.485 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.501 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.2 mt -61.7 -43.79 98.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.571 HD12 HD13 ' D' ' 44' ' ' LEU . 30.1 mm -64.05 -42.18 94.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 123.707 0.63 . . . . 0.0 109.513 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 75.1 m -60.76 -48.37 82.09 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.989 0.806 . . . . 0.0 110.288 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.62 -42.17 96.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 124.291 0.995 . . . . 0.0 109.846 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.749 HD23 HD23 ' D' ' 44' ' ' LEU . 23.0 tp -70.38 -48.44 56.26 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.21 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.604 HD13 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -45.35 -34.91 3.24 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.911 0.778 . . . . 0.0 111.705 179.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.47 -44.04 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -35.66 80.83 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.556 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' E' ' 44' ' ' LEU . 95.2 mt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 123.907 0.754 . . . . 0.0 109.59 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.5 tm? -60.87 -42.59 98.19 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.883 0.739 . . . . 0.0 109.644 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.8 m -62.62 -46.57 87.66 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -61.6 -43.76 98.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.774 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -65.59 -38.87 90.75 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.985 0.803 . . . . 0.0 110.426 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.73 93.09 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.841 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.97 -42.82 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.142 0.901 . . . . 0.0 109.047 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.6 ttp180 -58.47 -42.83 88.38 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.273 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.952 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.38 -56.89 6.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.697 HG23 HD11 ' E' ' 37' ' ' LEU . 68.1 mt -65.22 -44.83 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.017 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.429 HD21 ' N ' ' B' ' 33' ' ' ILE . 23.5 m120 -60.63 -41.64 95.26 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 41.8 t80 -58.84 -46.25 88.14 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.399 0.437 . . . . 0.0 110.865 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -68.74 -38.93 80.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.614 0.572 . . . . 0.0 111.26 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.676 HD11 HG23 ' B' ' 33' ' ' ILE . 23.2 mt -64.43 -44.31 91.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.044 0.926 . . . . 0.0 108.711 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.41 -39.82 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 112.28 -2.237 . . . . 0.0 107.664 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 26.4 mt -63.23 -43.38 98.22 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.658 HG23 HD11 ' E' ' 44' ' ' LEU . 31.7 mm -62.43 -43.5 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 59.8 m -55.66 -49.17 73.62 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.475 0.655 . . . . 0.0 109.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.31 -39.78 92.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.045 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.9 -28.13 57.94 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.379 0.425 . . . . 0.0 111.741 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.738 HD11 HG23 ' B' ' 40' ' ' ILE . 20.0 mt -66.49 -38.26 86.88 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.74 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.547 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.16 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.642 0.589 . . . . 0.0 109.693 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.18 -42.51 98.7 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.78 0.675 . . . . 0.0 109.777 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.73 -45.91 90.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.16 -43.65 98.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.79 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -65.46 -38.49 90.0 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.058 0.849 . . . . 0.0 110.563 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.9 92.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.723 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.93 -42.8 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 124.135 0.897 . . . . 0.0 108.972 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.7 ttp180 -58.45 -42.72 88.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.399 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.081 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -69.06 -56.51 7.51 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.676 HG23 HD11 ' A' ' 37' ' ' LEU . 69.3 mt -65.45 -44.44 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.371 0.419 . . . . 0.0 111.107 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.422 HD21 ' N ' ' C' ' 33' ' ' ILE . 22.6 m120 -60.71 -42.17 96.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.627 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 42.1 t80 -58.61 -46.35 87.21 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.57 0.543 . . . . 0.0 110.463 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.8 t -68.52 -39.15 81.33 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.515 0.51 . . . . 0.0 111.542 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' C' ' 33' ' ' ILE . 22.2 mt -64.57 -43.61 93.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.049 0.928 . . . . 0.0 108.79 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.3 -39.54 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 112.53 -2.123 . . . . 0.0 107.475 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 25.1 mt -63.21 -43.01 99.33 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.738 HG23 HD11 ' A' ' 44' ' ' LEU . 25.7 mm -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 60.6 m -55.95 -49.5 73.37 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.228 0.537 . . . . 0.0 109.831 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.97 -39.84 94.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.197 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.8 -27.87 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.894 0.478 . . . . 0.0 111.717 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.714 HD11 HG23 ' C' ' 40' ' ' ILE . 18.2 mt -67.1 -38.34 85.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.74 -42.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 80.2 m . . . . . 0 C--N 1.346 0.454 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.285 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -64.47 -41.09 96.71 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.64 0.587 . . . . 0.0 109.728 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.487 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.6 tm? -60.96 -42.67 98.72 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.765 0.666 . . . . 0.0 109.797 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.7 m -62.5 -45.99 90.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.14 -43.62 98.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.924 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.8 m -65.4 -38.68 90.71 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.511 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.96 92.57 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.765 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.84 -42.9 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.138 0.898 . . . . 0.0 108.988 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.8 ttp180 -58.61 -42.51 88.3 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.301 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.453 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.009 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.44 -56.84 6.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' B' ' 37' ' ' LEU . 71.4 mt -65.09 -44.61 95.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 119.332 -0.366 . . . . 0.0 110.812 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.416 HD21 ' N ' ' D' ' 33' ' ' ILE . 23.3 m120 -61.08 -41.83 97.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.456 -0.498 . . . . 0.0 109.8 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.491 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 43.8 t80 -57.22 -45.74 83.57 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.052 0.22 . . . . 0.0 110.442 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -66.53 -51.27 58.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.451 0.469 . . . . 0.0 110.306 179.113 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.699 HD11 HG23 ' D' ' 33' ' ' ILE . 23.7 mt -55.02 -44.12 74.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 123.707 0.63 . . . . 0.0 109.387 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.51 -42.3 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.457 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.66 -41.73 99.23 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.714 HG23 HD11 ' B' ' 44' ' ' LEU . 37.8 mm -63.02 -43.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.8 m -56.47 -48.74 76.46 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.447 0.467 . . . . 0.0 109.874 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.96 -40.26 94.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.004 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.1 -27.92 60.06 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.929 0.492 . . . . 0.0 111.389 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.672 HD11 HG23 ' D' ' 40' ' ' ILE . 17.2 mt -67.43 -38.13 84.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.01 -42.46 95.76 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -62.09 -36.98 83.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.715 0.634 . . . . 0.0 109.314 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' C' ' 44' ' ' LEU . 52.5 mt . . . . . 0 C--N 1.353 0.749 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -64.43 -40.64 96.15 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 123.875 0.734 . . . . 0.0 109.659 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.485 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.11 -41.68 97.14 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.588 0.555 . . . . 0.0 109.985 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 21.7 m -63.1 -46.91 85.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -61.27 -43.71 98.43 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.915 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -38.82 90.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.573 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.76 92.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.843 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.95 -42.72 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 124.063 0.852 . . . . 0.0 109.005 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.8 ttp180 -58.49 -42.92 88.7 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.346 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.132 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.64 -56.75 7.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.699 HG23 HD11 ' C' ' 37' ' ' LEU . 71.5 mt -65.16 -44.82 95.34 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.734 -177.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.428 HD21 ' N ' ' E' ' 33' ' ' ILE . 23.6 m120 -61.12 -41.62 97.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.651 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 43.7 t80 -57.49 -45.27 85.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.191 0.307 . . . . 0.0 110.517 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.3 t -67.19 -49.87 63.01 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.63 HD11 HG23 ' E' ' 33' ' ' ILE . 21.1 mt -55.94 -43.65 77.63 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.2 -41.37 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 113.811 -1.54 . . . . 0.0 107.731 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.5 mt -62.55 -42.11 99.33 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.672 HG23 HD11 ' C' ' 44' ' ' LEU . 35.3 mm -63.36 -43.8 98.72 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 60.0 m -55.3 -49.51 71.95 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.59 -41.86 95.96 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.995 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.11 -51.5 60.97 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.697 HD11 HG23 ' E' ' 40' ' ' ILE . 20.9 mt -49.27 -37.71 24.6 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.055 0.542 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.14 -43.72 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.52 -34.68 78.79 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' D' ' 44' ' ' LEU . 82.3 mt . . . . . 0 C--O 1.212 -0.881 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.56 -41.34 96.37 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.702 0.626 . . . . 0.0 109.741 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.483 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.6 tm? -60.78 -42.59 97.83 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.005 0.816 . . . . 0.0 109.712 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.67 -45.75 91.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -62.3 -43.48 98.73 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.919 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.45 -38.71 90.64 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.467 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.93 92.94 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.564 0.54 . . . . 0.0 109.811 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.1 -42.67 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.19 0.931 . . . . 0.0 108.97 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.473 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -58.49 -42.91 88.64 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.268 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.473 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.168 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.234 0.241 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.07 -56.99 6.86 Favored 'General case' 0 C--O 1.239 0.553 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.63 HG23 HD11 ' D' ' 37' ' ' LEU . 70.1 mt -65.46 -45.0 94.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.801 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.423 HD21 ' N ' ' A' ' 33' ' ' ILE . 22.1 m120 -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.617 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' E' ' 39' ' ' LEU . 45.0 t80 -59.33 -46.25 89.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.418 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.8 t -68.28 -36.33 79.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.985 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 33' ' ' ILE . 19.5 mt -62.63 -67.97 0.37 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.982 -2.97 . . . . 0.0 102.982 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 57.9 mt -37.64 -38.9 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.977 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' E' ' 35' ' ' PHE . 24.7 mt -63.7 -46.34 85.94 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 122.165 -0.334 . . . . 0.0 110.609 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.697 HG23 HD11 ' D' ' 44' ' ' LEU . 29.0 mm -61.21 -42.77 94.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 36.4 m -55.85 -48.99 74.53 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.06 -40.88 95.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.297 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' D' ' 44' ' ' LEU . 2.6 tp -65.35 -52.26 54.97 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' E' ' 47' ' ' ILE . 27.7 mt -48.34 -37.57 16.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.932 0.493 . . . . 0.0 111.169 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.51 -44.1 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.7 -34.78 78.62 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.781 0.676 . . . . 0.0 109.538 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.1 mt . . . . . 0 C--N 1.357 0.925 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.71 -40.16 94.89 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.756 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.6 tm? -60.99 -42.59 98.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.651 0.594 . . . . 0.0 109.973 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.86 -47.43 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.95 -43.99 97.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.792 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.26 -39.83 94.74 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.067 0.854 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.91 90.8 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.115 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.32 -42.64 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' A' ' 14' ' ' ARG . 51.3 ttp180 -60.77 -41.82 96.26 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.008 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.9 tp . . . . . 0 C--O 1.235 0.309 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.31 -56.09 4.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.483 ' N ' HD21 ' E' ' 34' ' ' ASN . 63.7 mt -62.3 -45.75 98.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.656 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.481 HD21 ' N ' ' B' ' 33' ' ' ILE . 31.2 m120 -63.07 -40.77 98.66 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.384 0.427 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.7 t80 -57.52 -45.84 84.53 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -66.02 -49.12 68.88 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 123.399 0.437 . . . . 0.0 110.061 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.906 0.754 . . . . 0.0 111.266 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.67 -43.1 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.3 mt -62.17 -42.52 99.34 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.785 0.678 . . . . 0.0 109.47 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.56 -43.75 98.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 80.1 m -56.97 -44.89 83.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.02 -33.94 76.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.09 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.6 tp -74.91 -30.46 61.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.63 -39.52 91.55 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.3 -43.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m . . . . . 0 C--N 1.345 0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.937 177.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.47 -40.12 95.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.744 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.475 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.7 tm? -61.23 -42.52 98.75 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.663 0.602 . . . . 0.0 109.803 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.05 -47.54 84.25 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.75 -44.23 97.31 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.958 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -63.98 -40.01 95.42 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.85 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -41.66 90.93 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.273 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.4 -42.63 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' B' ' 14' ' ' ARG . 51.2 ttp180 -60.76 -41.95 96.49 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.189 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.402 0 O-C-N 123.892 0.745 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.5 tp . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.51 -56.31 4.11 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.481 ' N ' HD21 ' A' ' 34' ' ' ASN . 63.6 mt -62.43 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-O 119.117 -0.468 . . . . 0.0 111.933 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.482 HD21 ' N ' ' C' ' 33' ' ' ILE . 30.7 m120 -62.83 -40.16 96.55 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 123.626 0.579 . . . . 0.0 110.255 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 58.2 t80 -58.91 -47.42 85.09 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 123.545 0.528 . . . . 0.0 110.058 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -66.96 -34.59 78.1 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.834 0.709 . . . . 0.0 111.571 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 40' ' ' ILE . 60.9 mt -67.92 -71.36 0.21 Allowed 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -33.95 -43.17 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 123.965 0.906 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 29.7 mt -63.32 -47.47 82.11 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.386 0.274 . . . . 0.0 110.283 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 41' ' ' CYS . 8.2 mm -61.89 -42.93 96.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 124.097 0.873 . . . . 0.0 108.961 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.0 m -56.46 -44.66 80.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.348 0.594 . . . . 0.0 109.726 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.4 -32.12 72.81 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.776 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.07 -29.97 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.464 HD23 HD11 ' C' ' 47' ' ' ILE . 5.8 mp -64.71 -39.53 93.81 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.1 -43.21 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.348 0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.707 178.122 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -63.99 -39.96 95.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.829 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.473 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.7 tm? -61.3 -42.93 99.48 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.62 0.575 . . . . 0.0 109.753 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.2 -47.35 84.86 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.71 -44.22 97.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.101 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -64.09 -39.81 94.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.883 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.71 90.77 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.418 0.449 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.51 -42.57 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.508 ' HE ' HH12 ' C' ' 14' ' ' ARG . 51.3 ttp180 -61.06 -41.88 97.44 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.03 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.508 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 O-C-N 123.978 0.799 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -81.63 -55.91 4.35 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.482 ' N ' HD21 ' B' ' 34' ' ' ASN . 65.1 mt -62.51 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.474 HD21 ' N ' ' D' ' 33' ' ' ILE . 31.8 m120 -63.33 -41.14 98.87 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.275 0.36 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.6 t80 -57.14 -46.76 82.42 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.499 0.5 . . . . 0.0 110.535 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -49.46 70.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.315 179.127 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.712 0.633 . . . . 0.0 109.919 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.47 -43.98 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 124.145 0.903 . . . . 0.0 108.915 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.495 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.2 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.27 -44.17 99.04 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 73.4 m -56.98 -44.79 83.03 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.876 0.735 . . . . 0.0 110.329 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.07 -33.41 75.73 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.977 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' C' ' 43' ' ' LEU . 8.5 tp -76.21 -30.52 58.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.849 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.563 HD23 HD11 ' D' ' 47' ' ' ILE . 5.9 mp -64.75 -39.31 93.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.31 -43.14 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -64.85 -37.17 86.73 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.926 0.766 . . . . 0.0 109.659 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 44' ' ' LEU . 48.9 mt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -64.14 -40.34 95.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.736 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.487 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -61.36 -42.53 98.85 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.056 0.847 . . . . 0.0 109.729 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -61.76 -47.69 84.08 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.61 -43.99 97.83 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.152 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.8 m -64.25 -39.89 94.88 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.936 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.91 91.1 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.448 0.467 . . . . 0.0 110.233 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.26 -42.8 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.509 ' HE ' HH12 ' D' ' 14' ' ' ARG . 51.4 ttp180 -60.7 -41.85 96.0 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.997 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.509 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.443 0 O-C-N 123.92 0.762 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -81.18 -55.8 4.5 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.474 ' N ' HD21 ' C' ' 34' ' ' ASN . 61.2 mt -63.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.839 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.469 HD21 ' N ' ' E' ' 33' ' ' ILE . 31.6 m120 -63.88 -41.01 97.84 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 119.061 -0.495 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 60.4 t80 -56.87 -46.59 81.71 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.916 0.76 . . . . 0.0 110.142 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -64.52 -49.78 69.95 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.25 0.344 . . . . 0.0 110.724 178.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.32 -43.18 96.61 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.734 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.98 -43.22 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 124.252 0.97 . . . . 0.0 109.122 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 34.0 mt -61.97 -42.16 98.82 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.43 -43.67 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.1 m -57.69 -46.1 84.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.5 -37.8 88.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.655 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.28 -52.03 51.56 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.85 -0.595 . . . . 0.0 109.546 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' D' ' 47' ' ' ILE . 6.0 mp -48.82 -38.88 23.43 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.684 0.675 . . . . 0.0 110.686 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.58 -44.4 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.63 -34.15 77.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.986 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' D' ' 44' ' ' LEU . 80.2 mt . . . . . 0 C--N 1.35 0.607 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.53 -40.17 95.12 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.87 0.731 . . . . 0.0 109.839 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.503 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.9 tm? -60.98 -42.52 98.52 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.636 0.585 . . . . 0.0 109.975 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -62.15 -47.58 83.93 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -61.79 -43.89 97.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.931 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -39.8 94.63 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.016 0.823 . . . . 0.0 110.829 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.75 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.42 0.45 . . . . 0.0 110.123 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.38 -42.9 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.503 ' HE ' HH12 ' E' ' 14' ' ' ARG . 51.4 ttp180 -60.57 -41.86 95.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.969 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.503 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.52 0 O-C-N 123.839 0.712 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -81.56 -55.97 4.33 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.469 ' N ' HD21 ' D' ' 34' ' ' ASN . 64.0 mt -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.711 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.483 HD21 ' N ' ' A' ' 33' ' ' ILE . 31.0 m120 -63.23 -40.94 98.88 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.621 0.576 . . . . 0.0 110.518 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -57.65 -46.01 84.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.218 0.324 . . . . 0.0 110.644 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.45 -49.2 72.4 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.583 0.552 . . . . 0.0 110.595 178.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.07 -42.41 98.45 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.625 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.58 -44.51 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 35.2 mt -61.96 -42.22 98.87 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.215 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mm -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.07 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 70.8 m -58.59 -45.09 89.84 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.07 -38.39 90.91 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.363 1.039 . . . . 0.0 109.53 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.16 -51.35 61.68 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.7 mp -49.75 -38.91 35.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 118.503 0.592 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.84 -44.33 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.33 -34.2 77.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.153 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.9 mt . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--O 1.225 -0.223 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.87 -40.58 93.53 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 124.026 0.828 . . . . 0.0 109.208 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.77 98.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 m -62.7 -45.99 90.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.442 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.39 -42.38 99.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.294 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.19 -40.82 98.59 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.938 0.774 . . . . 0.0 110.424 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.85 91.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.8 ttp180 -58.41 -41.53 85.17 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.604 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.283 0 O-C-N 123.754 0.659 . . . . 0.0 109.755 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 111.475 0.176 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.85 -52.65 41.07 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 123.892 0.745 . . . . 0.0 112.61 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.23 -45.53 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 122.947 0.154 . . . . 0.0 110.95 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.93 -42.79 99.92 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 39' ' ' LEU . 66.4 t80 -59.02 -48.23 82.33 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.727 0.642 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.74 -33.79 76.68 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.689 0.618 . . . . 0.0 111.731 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ILE . 45.1 mt -67.56 -69.12 0.33 Allowed 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.6 mt -33.14 -41.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 124.926 1.391 . . . . 0.0 110.369 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 35' ' ' PHE . 34.0 mt -62.98 -45.09 94.09 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.654 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.739 HD11 ' SG ' ' E' ' 41' ' ' CYS . 9.2 mm -62.77 -42.72 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 35.5 m -54.69 -49.47 70.59 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.189 0.93 . . . . 0.0 109.023 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.7 -37.9 87.74 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.683 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.63 -27.9 58.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.702 0.401 . . . . 0.0 111.522 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.627 HD11 HG23 ' B' ' 40' ' ' ILE . 10.6 mt -70.11 -37.9 75.47 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.27 -42.17 95.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--N 1.351 0.639 0 O-C-N 123.53 0.519 . . . . 0.0 109.916 178.503 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--O 1.226 -0.157 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.83 -40.49 92.95 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.744 0.652 . . . . 0.0 109.288 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -43.83 98.06 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -62.7 -46.0 90.18 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.359 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.48 -42.44 99.49 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.261 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -62.95 -40.67 98.36 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.915 0.759 . . . . 0.0 110.359 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.6 92.02 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.575 0.547 . . . . 0.0 109.743 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.77 -42.7 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.182 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.8 ttp180 -58.27 -41.8 85.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.518 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.5 0 O-C-N 123.946 0.779 . . . . 0.0 109.618 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.82 -52.23 46.26 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.34 -45.25 96.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 123.533 0.521 . . . . 0.0 110.848 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.26 -41.41 96.96 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 123.334 0.396 . . . . 0.0 110.663 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 65.0 t80 -57.51 -47.94 80.61 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 111.028 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -62.97 -51.79 65.49 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.713 0.633 . . . . 0.0 109.858 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.52 -43.13 79.51 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.334 1.021 . . . . 0.0 110.872 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.72 -42.24 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 125.562 1.788 . . . . 0.0 108.474 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 58.2 mt -64.24 -41.31 97.05 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.627 HG23 HD11 ' A' ' 44' ' ' LEU . 31.6 mm -62.1 -44.01 98.47 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 64.5 m -56.41 -50.82 70.51 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.936 0.773 . . . . 0.0 109.404 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.36 -39.12 93.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.684 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 44' ' ' LEU . 13.0 tp -75.41 -28.11 59.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.619 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.493 HD11 HG23 ' C' ' 40' ' ' ILE . 8.4 mt -69.92 -37.69 76.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.2 mt -63.24 -42.04 94.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.473 0.716 0 O-C-N 123.509 0.506 . . . . 0.0 110.067 178.366 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.66 -40.41 91.97 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.761 0.663 . . . . 0.0 109.332 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.406 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.7 -44.06 97.66 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.019 0.824 . . . . 0.0 108.911 179.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -62.93 -46.06 89.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.45 -42.36 99.41 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.445 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.819 0.699 . . . . 0.0 110.261 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.68 91.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.607 0.567 . . . . 0.0 109.723 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -42.82 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.161 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -58.41 -41.51 85.1 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.668 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 O-C-N 123.818 0.699 . . . . 0.0 109.813 178.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 111.203 0.075 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -67.01 -52.86 37.29 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.96 -45.56 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.596 0.56 . . . . 0.0 110.461 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -64.19 -41.18 97.2 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 123.732 0.645 . . . . 0.0 110.531 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 65.6 t80 -57.38 -47.04 82.71 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 123.718 0.636 . . . . 0.0 111.276 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -62.64 -54.51 38.38 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.519 0.512 . . . . 0.0 109.715 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.85 -42.66 72.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.866 0.729 . . . . 0.0 110.578 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.08 -43.05 80.58 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 59.5 mt -63.67 -42.27 98.07 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.62 HG22 ' CD1' ' C' ' 44' ' ' LEU . 36.8 mm -59.29 -48.03 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 61.7 m -54.7 -48.66 72.17 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.016 0.526 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.78 -36.29 83.4 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.872 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 44' ' ' LEU . 9.3 tp -76.33 -30.12 57.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.39 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.663 HD13 HD12 ' D' ' 40' ' ' ILE . 2.3 mp -68.88 -36.83 78.55 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.24 -42.57 96.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.95 -38.99 90.59 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 123.804 0.69 . . . . 0.0 110.138 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' C' ' 44' ' ' LEU . 59.6 mt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -61.03 -40.3 93.06 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.757 0.661 . . . . 0.0 109.448 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.406 ' O ' HD13 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.08 -43.41 98.9 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.4 m -62.99 -46.06 89.49 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.425 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.52 -42.24 99.39 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.255 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.16 -40.74 98.41 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.977 0.798 . . . . 0.0 110.39 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.49 92.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.722 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.78 -42.76 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.122 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.9 ttp180 -58.3 -41.6 84.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.623 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 O-C-N 123.904 0.753 . . . . 0.0 109.608 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--O 1.236 0.372 0 CA-C-O 119.866 -0.112 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.92 -53.02 36.11 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.06 -45.31 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 123.568 0.543 . . . . 0.0 110.788 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -63.31 -42.17 98.99 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.326 0.392 . . . . 0.0 110.568 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.72 -47.43 82.42 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.597 0.561 . . . . 0.0 111.257 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -62.88 -51.36 67.26 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 53.3 mt -58.07 -42.95 86.63 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.755 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -57.01 -41.78 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 125.186 1.554 . . . . 0.0 108.462 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 123.912 0.757 . . . . 0.0 110.082 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.663 HD12 HD13 ' C' ' 44' ' ' LEU . 34.3 mm -63.56 -43.82 98.41 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 61.0 m -54.83 -49.97 69.75 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.83 -41.53 97.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.467 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.7 -51.21 61.14 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.614 HD11 HG23 ' E' ' 40' ' ' ILE . 13.3 mt -50.74 -37.34 41.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.727 0.411 . . . . 0.0 110.638 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.18 -43.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.33 -36.41 84.03 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' D' ' 44' ' ' LEU . 75.9 mt . . . . . 0 C--N 1.354 0.781 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.09 -40.34 93.35 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.953 0.783 . . . . 0.0 109.275 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.411 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.76 -43.87 98.01 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -62.88 -46.1 89.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.402 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.35 -42.22 99.22 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.402 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.27 -40.62 97.9 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.918 0.761 . . . . 0.0 110.428 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.7 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.5 -42.84 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.332 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.8 ttp180 -58.21 -41.75 84.7 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.606 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.251 0 O-C-N 123.863 0.727 . . . . 0.0 109.91 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.225 -0.209 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -66.43 -52.41 46.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.32 -45.37 96.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 123.633 0.583 . . . . 0.0 110.806 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.92 -42.11 97.47 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 0.0 109.916 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 69.0 t80 -57.31 -47.08 82.44 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.519 0.512 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.1 t -61.11 -58.3 8.92 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' E' ' 40' ' ' ILE . 54.1 mt -46.12 -70.46 0.1 Allowed 'General case' 0 C--O 1.195 -1.807 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -32.32 -44.47 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 124.047 0.842 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 57.8 mt -64.83 -43.29 93.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 117.703 0.229 . . . . 0.0 110.754 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.614 HG23 HD11 ' D' ' 44' ' ' LEU . 22.4 mm -59.62 -45.08 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 20.8 m -57.08 -49.54 75.55 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.136 0.898 . . . . 0.0 109.267 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.18 -40.63 98.06 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.362 1.039 . . . . 0.0 110.821 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' D' ' 44' ' ' LEU . 4.7 tp -65.49 -51.55 59.24 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' ' 40' ' ' ILE . 9.4 mt -52.8 -36.49 58.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.656 0.383 . . . . 0.0 110.236 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.13 -43.25 97.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.369 0.418 . . . . 0.0 109.91 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' E' ' 44' ' ' LEU . 79.0 mt . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.79 -40.77 98.36 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.498 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.72 -42.72 99.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.32 -46.12 90.17 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.893 0.746 . . . . 0.0 109.287 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.54 -41.81 99.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.849 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -64.71 -39.57 93.89 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.77 94.49 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.8 -42.64 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.701 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.3 ttp180 -59.92 -41.96 92.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.258 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.474 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 O-C-N 123.845 0.716 . . . . 0.0 109.651 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.98 -64.02 0.99 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.635 HG23 HD11 ' E' ' 37' ' ' LEU . 63.3 mt -61.83 -47.39 93.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.892 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -60.79 -41.32 95.38 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 36.9 t80 -58.65 -45.11 90.04 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.469 0.481 . . . . 0.0 109.928 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -66.3 -39.17 89.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 112.335 178.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' CD1' HG23 ' B' ' 33' ' ' ILE . 37.6 mt -67.83 -45.53 74.41 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 122.257 1.027 . . . . 0.0 109.437 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.88 -43.98 89.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-N 113.462 -1.699 . . . . 0.0 109.196 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.7 mt -60.93 -46.25 91.42 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 124.117 0.886 . . . . 0.0 109.143 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG23 HD13 ' E' ' 44' ' ' LEU . 66.2 mt -66.01 -41.47 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 124.091 0.869 . . . . 0.0 110.667 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.2 m -55.99 -48.59 75.59 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.18 -38.09 89.81 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.058 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.43 -28.33 61.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 122.904 0.482 . . . . 0.0 111.201 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.55 HD13 HG23 ' B' ' 40' ' ' ILE . 9.4 mt -68.22 -38.2 81.64 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.33 -42.55 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.35 0.615 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 177.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.0 -41.06 99.48 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.0 OUTLIER -61.73 -43.13 99.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -62.58 -45.53 92.48 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.71 -41.88 99.37 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.878 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.54 -39.48 93.85 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.284 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.78 94.37 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.65 -42.73 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.692 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.4 ttp180 -59.83 -42.04 92.65 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.233 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 O-C-N 123.841 0.713 . . . . 0.0 109.571 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 tp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -71.05 -64.0 0.99 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 37' ' ' LEU . 59.5 mt -61.52 -47.68 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.02 -41.64 96.94 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.831 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' B' ' 39' ' ' LEU . 38.1 t80 -59.17 -44.65 92.15 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.588 0.555 . . . . 0.0 109.657 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -66.59 -38.96 88.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 123.638 0.586 . . . . 0.0 111.766 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' C' ' 33' ' ' ILE . 24.1 mt -68.51 -46.44 69.6 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.715 0.769 . . . . 0.0 109.192 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.37 -43.01 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 113.021 -1.899 . . . . 0.0 109.114 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' B' ' 35' ' ' PHE . 19.8 mt -62.11 -44.24 97.09 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' A' ' 44' ' ' LEU . 63.0 mt -66.97 -41.73 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.304 1.002 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.9 m -56.05 -47.74 77.34 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.89 -38.11 89.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.941 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.08 -27.23 60.8 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.833 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.588 HD13 HG23 ' C' ' 40' ' ' ILE . 7.9 mt -69.48 -37.78 77.39 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.82 -42.49 96.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 C--N 1.351 0.665 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.473 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -62.89 -41.3 99.38 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.457 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.458 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.0 OUTLIER -61.58 -43.04 99.6 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.98 0.8 . . . . 0.0 109.295 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.5 m -63.03 -45.24 93.22 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.73 -41.72 99.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.075 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.61 -39.3 93.47 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.05 93.19 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.37 -42.84 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.772 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.7 ttp180 -59.88 -41.9 92.59 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.183 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.344 0.329 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 119.661 -0.209 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.91 -62.9 1.22 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.9 mt -62.97 -46.44 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.405 -176.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -60.8 -41.71 96.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.416 0.553 . . . . 0.0 110.154 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 39.0 t80 -58.74 -44.94 90.65 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.809 0.693 . . . . 0.0 109.138 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.33 -52.78 62.3 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.697 0.623 . . . . 0.0 109.953 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.648 HD11 HG23 ' D' ' 33' ' ' ILE . 18.1 mt -52.93 -74.46 0.04 OUTLIER 'General case' 0 C--O 1.194 -1.837 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -33.37 -45.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 125.365 1.666 . . . . 0.0 110.835 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.22 -47.1 85.94 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-O 121.215 0.531 . . . . 0.0 110.731 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.588 HG23 HD13 ' B' ' 44' ' ' LEU . 62.1 mt -64.23 -42.02 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.902 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 56.2 m -55.05 -48.99 72.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.33 -38.18 90.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.43 -27.0 61.19 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.604 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' C' ' 47' ' ' ILE . 8.1 mt -70.09 -37.65 75.47 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.03 -42.36 95.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -63.19 -35.36 80.04 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' C' ' 44' ' ' LEU . 41.5 mt . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -63.24 -40.97 98.94 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.67 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.0 OUTLIER -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -62.87 -45.67 91.45 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.52 -41.78 99.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.774 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.0 m -64.82 -39.56 93.78 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.092 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.9 94.59 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.53 -42.83 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.82 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.6 ttp180 -59.83 -41.94 92.46 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.198 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.34 0.19 0 O-C-N 123.81 0.694 . . . . 0.0 109.622 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.19 -62.96 1.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.648 HG23 HD11 ' C' ' 37' ' ' LEU . 61.9 mt -62.63 -46.7 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.561 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -61.44 -41.36 97.07 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.85 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 38.2 t80 -58.71 -44.68 90.46 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.6 -51.05 66.97 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.911 0.757 . . . . 0.0 110.633 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' E' ' 33' ' ' ILE . 32.9 mt -58.62 -44.76 90.07 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.103 0.477 . . . . 0.0 110.328 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.05 -43.08 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.887 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 27.6 mt -61.08 -44.03 97.99 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.563 HG23 HD13 ' C' ' 44' ' ' LEU . 60.9 mt -67.21 -42.44 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.738 0.649 . . . . 0.0 109.812 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.0 m -55.94 -48.12 76.32 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.56 -40.4 96.88 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.765 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.08 -51.46 63.95 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' D' ' 47' ' ' ILE . 10.6 mt -50.68 -38.57 47.56 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.226 0.61 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.62 -43.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.38 -31.97 73.35 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.883 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.51 -40.88 98.22 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.847 0.717 . . . . 0.0 109.718 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.471 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.1 tm? -61.46 -43.17 99.34 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -63.09 -45.35 92.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.68 -41.52 99.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.986 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.8 m -64.85 -39.39 93.49 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.211 0.944 . . . . 0.0 110.309 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.26 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.59 -42.93 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.638 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.471 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.4 ttp180 -59.72 -41.98 92.07 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.147 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.471 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.344 0.339 0 O-C-N 123.716 0.635 . . . . 0.0 109.69 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--O 1.224 -0.265 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -71.44 -62.65 1.33 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -62.65 -46.59 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -60.99 -41.29 96.17 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.255 0.479 . . . . 0.0 110.636 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 37.6 t80 -59.86 -44.67 94.01 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -61.52 -53.96 49.55 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.134 0.896 . . . . 0.0 109.665 178.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 33' ' ' ILE . 18.7 mt -51.3 -74.18 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -35.04 -45.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 125.369 1.668 . . . . 0.0 110.904 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.544 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.9 mt -61.76 -47.11 86.64 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 120.651 0.262 . . . . 0.0 110.458 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.606 HG23 HD13 ' D' ' 44' ' ' LEU . 65.3 mt -65.25 -42.12 93.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.314 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 58.8 m -56.0 -47.21 78.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.62 -39.85 94.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.076 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.46 -51.24 64.05 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' E' ' 47' ' ' ILE . 11.5 mt -50.12 -38.05 37.08 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.469 0.481 . . . . 0.0 110.824 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.54 -31.92 73.23 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.879 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' E' ' 44' ' ' LEU . 88.4 mt . . . . . 0 C--N 1.354 0.8 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.03 -40.43 95.68 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.173 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.83 -46.19 89.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.224 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.5 -41.93 99.15 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.029 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -64.6 -39.95 94.65 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.005 0.815 . . . . 0.0 110.133 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.14 94.88 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.19 -42.89 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.944 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -57.65 -41.38 81.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.047 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.014 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -62.36 -46.08 90.27 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.254 0.972 . . . . 0.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.18 -51.03 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.5 -45.04 94.84 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 34.6 t80 -58.93 -46.93 86.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.623 0.577 . . . . 0.0 110.854 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.0 OUTLIER -65.14 -37.65 88.09 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.377 0.423 . . . . 0.0 111.215 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.79 -43.45 68.68 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.064 0.853 . . . . 0.0 110.556 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.24 -42.99 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.761 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.1 mt -60.66 -44.68 96.15 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.587 ' CD1' HD13 ' E' ' 44' ' ' LEU . 2.2 mm -64.89 -42.23 94.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 123.232 0.613 . . . . 0.0 109.522 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.0 m -59.9 -51.29 70.33 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 122.598 0.359 . . . . 0.0 110.482 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.28 -41.45 98.49 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.33 1.019 . . . . 0.0 109.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' E' ' 44' ' ' LEU . 19.9 tp -64.01 -50.05 70.02 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.06 0.85 . . . . 0.0 108.737 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' B' ' 43' ' ' LEU . 0.0 OUTLIER -50.08 -40.69 46.36 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.243 0.617 . . . . 0.0 110.075 177.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.45 -42.7 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.284 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.97 -40.54 95.95 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -61.77 -42.99 99.7 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.901 0.751 . . . . 0.0 109.058 178.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -62.65 -45.98 90.33 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.786 0.679 . . . . 0.0 109.341 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.75 -41.83 99.38 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.984 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -64.48 -39.85 94.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 110.08 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.0 94.76 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.642 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.886 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.457 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.5 ttp180 -57.62 -41.44 81.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.998 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.457 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -62.46 -46.14 89.85 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.93 -51.63 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.02 -44.74 96.08 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.64 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.3 t80 -59.65 -47.31 86.1 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 123.359 0.412 . . . . 0.0 111.256 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -63.55 -34.06 76.97 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.651 0.595 . . . . 0.0 111.631 179.342 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.5 -74.4 0.13 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -32.01 -44.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.549 0 O-C-N 125.737 1.898 . . . . 0.0 110.924 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' B' ' 35' ' ' PHE . 21.9 mt -60.39 -49.73 76.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.684 0.278 . . . . 0.0 110.409 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.464 HD11 ' SG ' ' A' ' 41' ' ' CYS . 96.1 mt -66.55 -41.02 87.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.389 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.6 m -55.39 -50.55 69.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 45' ' ' ILE . 55.1 mt -62.28 -39.75 93.98 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.2 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 44' ' ' LEU . 30.5 tp -64.83 -47.87 76.45 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.475 ' HB3' HD23 ' C' ' 43' ' ' LEU . 1.6 mt -53.06 -38.55 62.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.032 0.533 . . . . 0.0 109.587 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 42' ' ' LEU . 66.5 mt -63.34 -42.69 97.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.512 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.43 -40.46 94.53 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 123.781 0.676 . . . . 0.0 109.264 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.407 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -43.18 99.36 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -63.02 -46.1 89.21 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.296 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.36 -41.96 99.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.278 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -64.58 -40.08 94.89 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.157 0.911 . . . . 0.0 110.087 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.29 94.75 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.03 -43.03 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.832 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.448 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -57.61 -41.33 81.07 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.448 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.148 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -62.43 -46.63 87.69 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.725 0.641 . . . . 0.0 112.722 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.72 -51.14 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.93 -44.84 94.98 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.599 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 36.8 t80 -56.86 -47.31 80.71 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 123.647 0.592 . . . . 0.0 111.728 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.34 -50.61 70.94 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.66 0.6 . . . . 0.0 109.69 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.2 -44.23 95.3 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.18 -42.52 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 124.971 1.419 . . . . 0.0 109.687 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.5 mt -60.09 -45.4 93.06 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.537 HD11 ' SG ' ' B' ' 41' ' ' CYS . 44.6 mt -66.91 -40.46 85.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.428 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 74.1 m -56.42 -49.98 72.96 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.57 -41.45 98.93 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.62 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 44' ' ' LEU . 15.4 tp -70.68 -23.68 62.53 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.637 ' HB3' HD23 ' D' ' 43' ' ' LEU . 0.0 OUTLIER -73.85 -39.01 64.29 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.29 -41.59 93.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 77.9 m -62.24 -41.28 98.27 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.352 0.682 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.589 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.18 -40.59 96.54 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.901 0.751 . . . . 0.0 109.021 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -61.85 -42.9 99.61 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -62.63 -46.05 90.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.244 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.74 -41.8 99.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.178 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.53 -40.05 94.88 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.119 0.887 . . . . 0.0 110.246 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.24 94.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.21 -42.83 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.879 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.455 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -57.69 -41.35 81.48 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.102 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.455 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.15 177.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -62.3 -45.8 91.63 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.0 -51.21 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.1 -43.94 97.07 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.663 1.227 . . . . 0.0 110.986 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -56.96 -47.44 80.71 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.771 0.669 . . . . 0.0 111.96 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.32 -50.63 70.89 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.513 0.508 . . . . 0.0 109.833 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.65 -44.17 93.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.592 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.7 -42.42 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 124.64 1.213 . . . . 0.0 109.394 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 23.4 mt -60.27 -45.5 93.08 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' D' ' 44' ' ' LEU . 82.9 mt -67.54 -40.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 123.758 0.661 . . . . 0.0 110.457 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.3 m -54.28 -50.39 67.37 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.739 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -71.84 -25.12 61.84 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.454 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.455 HD13 HG23 ' E' ' 40' ' ' ILE . 1.5 mt -70.21 -40.53 74.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.02 -42.18 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.304 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.27 -40.74 97.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.87 0.731 . . . . 0.0 110.188 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.18 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.462 0.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.23 -40.31 95.73 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.867 0.729 . . . . 0.0 109.049 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.421 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -42.99 99.72 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.75 -46.03 89.94 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.373 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.73 -41.84 99.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.126 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -64.37 -40.12 95.21 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.95 0.781 . . . . 0.0 110.302 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.05 95.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.33 -42.81 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.74 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.6 ttp180 -57.76 -41.34 81.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.949 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.161 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 119.631 -0.223 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -62.49 -46.05 90.23 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.862 0.726 . . . . 0.0 112.837 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.62 -51.28 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.84 -44.3 96.51 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.374 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 33.8 t80 -57.07 -47.14 81.71 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.689 0.618 . . . . 0.0 111.166 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -62.88 -50.39 71.08 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.157 0.503 . . . . 0.0 110.063 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -44.54 93.71 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.11 -43.43 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 125.112 1.507 . . . . 0.0 108.779 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.551 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.1 mt -59.94 -46.25 90.01 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' D' ' 41' ' ' CYS . 53.2 mt -65.95 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.18 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.8 m -58.17 -49.27 77.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.31 -40.92 97.91 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 124.514 1.134 . . . . 0.0 109.595 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' E' ' 43' ' ' LEU . 19.0 tp -64.82 -51.02 64.36 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' E' ' 47' ' ' ILE . 0.1 OUTLIER -49.01 -41.77 35.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.203 0.601 . . . . 0.0 109.942 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.14 -43.74 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.358 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.98 -38.53 91.4 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.287 0.367 . . . . 0.0 110.666 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.1 mt . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -62.69 -41.12 98.94 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.892 0.745 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.4 tm? -61.87 -43.16 99.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.869 0.731 . . . . 0.0 109.299 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.68 -46.74 86.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.289 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -61.97 -43.41 98.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.24 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -63.88 -40.81 97.4 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.989 0.806 . . . . 0.0 110.522 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.36 92.8 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.545 0.528 . . . . 0.0 109.777 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.88 -42.8 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.19 0.931 . . . . 0.0 109.073 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -58.67 -41.98 87.43 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.543 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 O-C-N 123.921 0.763 . . . . 0.0 109.722 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 119.632 -0.223 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.39 -53.48 28.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.107 0.879 . . . . 0.0 112.566 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.74 -45.08 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 O-C-N 123.173 0.296 . . . . 0.0 110.824 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -63.43 -42.42 98.69 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.596 0.56 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -57.46 -47.71 81.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.34 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.1 t -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.864 0.728 . . . . 0.0 111.298 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HB3' ' SG ' ' B' ' 36' ' ' CYS . 44.4 mt -70.43 -43.2 70.42 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.379 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.62 -41.92 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.996 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 26.3 mt -61.55 -44.53 96.86 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 HD12 HD13 ' E' ' 44' ' ' LEU . 28.7 mm -65.75 -41.8 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.349 1.03 . . . . 0.0 109.25 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.4 m -60.84 -52.34 65.47 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.02 0.528 . . . . 0.0 110.346 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 45' ' ' ILE . 67.8 mt -60.36 -41.38 93.55 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 123.736 0.647 . . . . 0.0 109.923 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 HD23 ' E' ' 44' ' ' LEU . 32.5 tp -66.62 -47.36 72.87 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 HD12 ' B' ' 40' ' ' ILE . 0.1 OUTLIER -52.49 -36.91 56.14 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 122.688 0.395 . . . . 0.0 110.477 178.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.4 mt -61.88 -43.24 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.063 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.87 -41.93 99.57 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.753 0.658 . . . . 0.0 109.466 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.7 -43.58 98.58 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.677 0.611 . . . . 0.0 109.545 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.54 -46.06 90.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.238 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.49 -43.25 99.26 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.101 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.63 -40.68 97.49 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.098 0.874 . . . . 0.0 110.529 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.43 92.44 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.831 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.82 -42.83 95.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.114 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -58.62 -41.84 86.85 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.634 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.417 0 O-C-N 123.803 0.689 . . . . 0.0 109.739 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--O 1.223 -0.333 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.59 -53.22 29.96 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.178 0.924 . . . . 0.0 112.809 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.61 -45.18 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 123.216 0.322 . . . . 0.0 110.916 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -62.69 -41.73 99.26 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 123.394 0.434 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' B' ' 39' ' ' LEU . 41.2 t80 -59.38 -47.65 84.63 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.394 0.433 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -65.6 -30.56 71.3 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.509 0.506 . . . . 0.0 111.686 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 40' ' ' ILE . 48.2 mt -72.16 -70.64 0.32 Allowed 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -32.89 -43.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.684 0 O-C-N 124.974 1.422 . . . . 0.0 110.449 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' B' ' 35' ' ' PHE . 25.4 mt -61.41 -48.75 79.76 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 41' ' ' CYS . 21.2 mm -63.52 -41.42 92.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 124.102 0.876 . . . . 0.0 108.658 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 61.0 m -61.16 -52.97 62.61 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.755 0.659 . . . . 0.0 109.949 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.4 mt -59.42 -40.0 85.29 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.104 0.878 . . . . 0.0 109.334 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.511 HD23 HD23 ' A' ' 44' ' ' LEU . 32.7 tp -66.09 -47.8 73.03 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' C' ' 40' ' ' ILE . 0.0 OUTLIER -54.11 -35.1 61.78 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 122.554 0.341 . . . . 0.0 110.509 179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' B' ' 42' ' ' LEU . 62.0 mt -63.47 -42.79 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.661 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.26 -41.08 99.01 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 123.786 0.679 . . . . 0.0 109.497 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.5 tm? -62.17 -42.89 99.7 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.809 0.693 . . . . 0.0 109.565 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.82 -46.44 87.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -62.82 -42.34 99.68 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.201 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -62.93 -41.83 99.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.269 0.98 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.37 88.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.014 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.42 -42.74 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.465 HH21 HH22 ' C' ' 14' ' ' ARG . 48.6 ttp180 -58.55 -41.74 86.26 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.441 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.465 HH22 HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 O-C-N 123.817 0.698 . . . . 0.0 109.893 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 111.45 0.167 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.66 -53.06 37.92 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.81 -44.77 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 123.13 0.269 . . . . 0.0 110.809 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -64.14 -41.52 97.17 Favored 'General case' 0 C--O 1.203 -1.371 0 O-C-N 123.806 0.691 . . . . 0.0 110.483 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 41.0 t80 -56.84 -47.09 81.15 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.581 0.551 . . . . 0.0 111.382 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.55 -49.02 75.1 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.785 0.678 . . . . 0.0 109.663 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.61 -42.36 92.45 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.651 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -42.2 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 124.272 0.982 . . . . 0.0 108.947 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.1 mt -60.8 -44.49 96.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 31.8 mm -64.47 -42.69 96.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 O-C-N 124.263 0.977 . . . . 0.0 109.44 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.9 m -61.4 -51.92 66.74 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.457 0.473 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' C' ' 45' ' ' ILE . 65.9 mt -59.95 -41.25 91.48 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 124.068 0.855 . . . . 0.0 109.823 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' B' ' 44' ' ' LEU . 30.7 tp -66.29 -47.9 72.13 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 123.811 0.695 . . . . 0.0 109.232 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.589 HD13 HD12 ' D' ' 40' ' ' ILE . 0.1 OUTLIER -52.78 -39.3 62.17 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 123.258 0.349 . . . . 0.0 110.136 178.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' C' ' 42' ' ' LEU . 54.9 mt -60.73 -42.58 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 61.9 m -63.08 -40.45 97.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.505 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.99 -41.73 99.66 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 123.889 0.743 . . . . 0.0 109.644 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.86 -43.36 99.01 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.743 0.652 . . . . 0.0 109.505 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.71 -46.08 89.76 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.161 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.4 -43.4 98.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.09 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.7 -40.4 96.68 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.017 0.823 . . . . 0.0 110.631 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.34 92.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.763 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.83 -42.77 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.217 0.948 . . . . 0.0 109.152 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.476 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -58.67 -41.83 87.07 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.557 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.476 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.39 0 O-C-N 123.728 0.642 . . . . 0.0 109.762 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 119.681 -0.2 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.64 -52.86 40.34 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.931 0.769 . . . . 0.0 112.921 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.78 -45.02 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 123.08 0.238 . . . . 0.0 110.769 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.04 -41.28 97.45 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.48 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 42.5 t80 -56.86 -47.45 80.36 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.976 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -62.79 -48.93 76.99 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.6 0.563 . . . . 0.0 109.988 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.26 -42.6 95.72 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.995 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.76 -42.17 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -61.26 -45.24 95.3 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' C' ' 41' ' ' CYS . 34.6 mm -63.94 -41.7 93.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 124.301 1.001 . . . . 0.0 110.202 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 78.6 m -61.68 -51.27 69.12 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.616 0.572 . . . . 0.0 110.304 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.8 mt -60.36 -41.28 93.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.812 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.94 -47.99 72.87 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 47' ' ' ILE . 0.1 OUTLIER -52.76 -37.52 59.63 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.472 0.483 . . . . 0.0 110.066 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 42' ' ' LEU . 53.9 mt -62.03 -42.91 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.74 -37.96 87.83 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.9 mt . . . . . 0 C--N 1.348 0.54 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 . . . . . 0 N--CA 1.466 0.329 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -63.04 -41.7 99.57 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.813 0.696 . . . . 0.0 109.529 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.467 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.5 tm? -61.82 -43.27 99.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.915 0.759 . . . . 0.0 109.559 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -62.93 -45.94 90.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.835 0.709 . . . . 0.0 109.252 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.57 -43.24 99.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.71 -40.41 96.7 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.028 0.83 . . . . 0.0 110.624 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.34 91.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.765 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.71 -42.91 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 124.192 0.932 . . . . 0.0 109.165 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.2 ttp180 -58.54 -41.97 86.76 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.652 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 O-C-N 123.727 0.642 . . . . 0.0 109.635 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.78 -53.17 29.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.19 -45.05 97.43 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.883 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.71 -41.6 98.07 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 124.409 1.068 . . . . 0.0 110.43 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 43.1 t80 -56.88 -46.62 81.76 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.591 0.557 . . . . 0.0 111.072 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.64 -49.73 72.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.5 -43.82 89.19 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.407 1.067 . . . . 0.0 110.317 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.69 -43.2 94.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.639 0.775 . . . . 0.0 109.307 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 27.1 mt -60.13 -45.36 93.29 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.608 HD12 HD13 ' D' ' 44' ' ' LEU . 34.2 mm -64.29 -42.53 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.194 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.5 m -61.26 -51.76 67.58 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.291 0.369 . . . . 0.0 110.465 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' E' ' 45' ' ' ILE . 70.4 mt -59.5 -42.25 91.76 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.538 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.46 HD23 HD23 ' D' ' 44' ' ' LEU . 31.2 tp -65.78 -48.08 72.98 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.644 HD13 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -52.37 -35.6 51.8 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.596 0.359 . . . . 0.0 110.839 178.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.9 mt -63.5 -42.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -65.9 -38.64 89.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' E' ' 44' ' ' LEU . 91.0 mt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -63.49 -40.79 98.01 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.456 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.6 tm? -61.63 -42.99 99.67 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.707 0.629 . . . . 0.0 109.492 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.53 -46.11 89.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.5 -42.69 99.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.029 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -64.33 -40.24 95.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.611 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.2 94.47 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.509 0.505 . . . . 0.0 109.667 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.76 -42.4 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.998 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.5 ttp180 -60.49 -43.34 97.1 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.605 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.416 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.824 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.2 -55.05 10.3 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD21 ' E' ' 34' ' ' ASN . 71.1 mt -63.77 -47.88 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.923 0.765 . . . . 0.0 112.038 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.441 HD21 ' N ' ' B' ' 33' ' ' ILE . 26.3 m120 -62.42 -41.92 99.06 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.301 0.375 . . . . 0.0 111.065 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CE2' HD11 ' A' ' 39' ' ' LEU . 34.3 t80 -58.77 -46.28 87.86 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.621 0.576 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -66.62 -35.11 79.39 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.892 0.745 . . . . 0.0 111.428 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.42 -44.3 68.19 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.65 0.738 . . . . 0.0 109.659 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.45 -41.66 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.196 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 35' ' ' PHE . 25.7 mt -62.11 -44.54 96.44 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' E' ' 41' ' ' CYS . 15.5 mm -63.25 -43.82 98.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' B' ' 40' ' ' ILE . 73.2 m -56.51 -45.74 80.9 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.737 0.303 . . . . 0.0 110.4 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.09 -35.23 80.47 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.825 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.9 tp -74.54 -30.07 61.62 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.377 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.95 -39.09 90.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.58 -43.04 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.0 m . . . . . 0 CA--C 1.536 0.425 0 O-C-N 123.755 0.659 . . . . 0.0 109.563 177.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.56 -40.66 97.57 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 123.741 0.65 . . . . 0.0 109.35 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.56 -43.29 99.13 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.743 0.652 . . . . 0.0 109.405 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.44 -46.11 90.02 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.53 -42.64 99.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.969 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.0 m -64.3 -40.23 95.51 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.673 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.14 94.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.755 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.62 -42.69 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.868 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.5 ttp180 -60.4 -43.29 96.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.68 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.385 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.961 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 C--O 1.233 0.233 0 CA-C-O 119.768 -0.158 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.79 -55.71 7.96 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.935 0.772 . . . . 0.0 112.68 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.441 ' N ' HD21 ' A' ' 34' ' ' ASN . 73.6 mt -64.33 -45.86 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -62.62 -42.79 99.79 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.447 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.0 t80 -60.81 -46.09 91.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.753 0.658 . . . . 0.0 110.109 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 98.3 m -62.47 -31.54 72.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.765 0.666 . . . . 0.0 111.717 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' ILE . 52.4 mt -76.59 -68.14 0.63 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.44 -42.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 124.217 0.948 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.8 mt -61.37 -48.49 81.03 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 123.362 0.413 . . . . 0.0 110.372 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' B' ' 37' ' ' LEU . 17.6 mm -61.96 -42.72 95.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.284 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 51.8 m -55.34 -46.37 76.37 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.36 -33.66 75.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.965 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.77 -30.74 62.95 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.468 HD23 HD11 ' C' ' 47' ' ' ILE . 5.6 mp -65.38 -38.6 90.51 Favored 'General case' 0 C--N 1.367 1.35 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.82 -42.67 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 CA--C 1.537 0.475 0 O-C-N 123.898 0.749 . . . . 0.0 109.689 177.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.74 -40.1 95.89 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.423 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.482 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.6 tm? -62.32 -42.22 99.19 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 123.615 0.572 . . . . 0.0 109.482 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -62.58 -46.72 87.05 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.113 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -63.12 -41.92 99.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.322 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.1 90.61 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.015 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.19 -42.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.992 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.454 ' HE ' HH22 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.63 -43.13 97.87 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.485 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.454 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.39 0 O-C-N 123.976 0.797 . . . . 0.0 110.015 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 111.031 0.012 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.53 -55.24 9.36 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.713 0.633 . . . . 0.0 112.694 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.66 -47.14 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.918 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.405 HD21 ' N ' ' D' ' 33' ' ' ILE . 24.1 m120 -62.42 -41.64 98.85 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.676 0.61 . . . . 0.0 110.474 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.536 ' CE2' HD11 ' C' ' 39' ' ' LEU . 33.2 t80 -59.77 -47.0 87.42 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.395 0.435 . . . . 0.0 110.743 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -64.79 -32.66 74.45 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.602 0.564 . . . . 0.0 111.624 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.8 mt -70.5 -70.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 68.2 mt -34.81 -42.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 124.811 1.32 . . . . 0.0 110.221 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' C' ' 35' ' ' PHE . 24.9 mt -62.47 -48.52 79.26 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 177.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' B' ' 41' ' ' CYS . 10.2 mm -61.29 -43.2 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 123.919 0.762 . . . . 0.0 109.035 177.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 58.0 m -56.16 -46.0 79.48 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.34 -33.37 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.946 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.48 -29.86 61.61 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.575 0.547 . . . . 0.0 111.429 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.3 mp -65.83 -38.49 89.05 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.85 -43.03 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.13 -37.45 87.48 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.65 0.594 . . . . 0.0 109.693 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' C' ' 44' ' ' LEU . 53.4 mt . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.66 -40.54 97.11 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.845 0.715 . . . . 0.0 109.497 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.79 -43.12 99.48 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.47 -46.13 89.92 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.41 -42.79 99.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.047 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 68.5 m -64.38 -40.23 95.41 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.092 0.87 . . . . 0.0 110.533 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.25 94.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.75 -42.44 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.902 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.5 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.47 -43.26 97.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.578 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.5 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.949 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 119.839 -0.124 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.13 -54.86 11.12 Favored 'General case' 0 C--O 1.245 0.858 0 O-C-N 123.85 0.719 . . . . 0.0 112.364 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.405 ' N ' HD21 ' C' ' 34' ' ' ASN . 71.9 mt -63.72 -47.5 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 123.169 0.293 . . . . 0.0 111.764 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.406 HD21 ' N ' ' E' ' 33' ' ' ILE . 24.6 m120 -63.36 -41.29 98.83 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.252 0.345 . . . . 0.0 110.598 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.7 t80 -57.43 -46.38 83.63 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.084 0.24 . . . . 0.0 111.042 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.77 -50.39 71.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.524 0.515 . . . . 0.0 109.722 179.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -58.8 -44.01 90.68 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.914 0.864 . . . . 0.0 110.532 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.24 -42.81 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.51 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -60.61 -44.56 96.14 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.74 -44.4 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.6 m -57.09 -44.89 83.58 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.641 0.588 . . . . 0.0 110.09 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.81 -35.35 80.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.193 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' D' ' 43' ' ' LEU . 8.8 tp -74.41 -29.75 61.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.412 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.56 HD23 HD11 ' E' ' 47' ' ' ILE . 5.7 mp -66.19 -38.57 88.34 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.02 -42.96 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -64.01 -37.44 87.44 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.742 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 44' ' ' LEU . 51.8 mt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 N--CA 1.466 0.358 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.85 -40.33 96.31 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.352 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.479 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.7 tm? -61.78 -43.14 99.43 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.77 -46.18 89.21 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.993 0.808 . . . . 0.0 108.981 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.24 -42.75 99.6 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.088 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -40.4 95.94 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.553 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.05 94.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.556 0.535 . . . . 0.0 109.749 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.7 -42.47 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.887 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.489 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.5 ttp180 -60.63 -43.13 97.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.612 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.489 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.377 0 O-C-N 123.948 0.78 . . . . 0.0 109.902 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.047 -0.025 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.89 -54.61 12.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.406 ' N ' HD21 ' D' ' 34' ' ' ASN . 73.0 mt -64.56 -46.79 91.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 123.57 0.544 . . . . 0.0 111.946 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.412 HD21 ' N ' ' A' ' 33' ' ' ILE . 24.5 m120 -63.38 -41.53 98.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.661 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.0 t80 -57.58 -46.14 84.35 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.505 0.503 . . . . 0.0 110.711 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.8 OUTLIER -63.55 -49.11 74.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.776 0.673 . . . . 0.0 109.806 179.243 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.52 -43.31 93.47 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.062 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.7 mt -61.22 -42.65 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 O-C-N 124.395 1.059 . . . . 0.0 108.185 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 29.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mm -63.97 -43.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.3 m -57.49 -45.52 84.78 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.46 -38.0 89.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.32 -51.28 61.66 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.65 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.3 mp -50.33 -38.16 40.51 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.871 0.305 . . . . 0.0 110.438 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.22 -44.14 99.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -65.93 -34.56 78.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.612 0.57 . . . . 0.0 110.071 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.5 mt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.4 -40.44 96.52 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 124.043 0.839 . . . . 0.0 109.183 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -62.05 -43.11 99.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.831 0.707 . . . . 0.0 109.167 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -62.82 -46.05 89.77 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.198 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.38 -42.12 99.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.972 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -64.69 -40.3 95.15 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.148 0.905 . . . . 0.0 110.366 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.58 95.45 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.704 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.37 -42.26 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.021 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -59.73 -43.73 94.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.306 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.355 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.57 -27.83 68.72 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.747 HG23 ' CD1' ' E' ' 37' ' ' LEU . 87.6 mt -63.57 -43.43 98.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.96 -42.22 93.6 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.111 0.882 . . . . 0.0 109.621 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -59.63 -44.38 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.3 t -68.82 -35.75 77.36 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.352 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' B' ' 33' ' ' ILE . 17.5 mt -67.82 -43.67 79.08 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 122.452 1.12 . . . . 0.0 109.654 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -61.32 -42.66 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 112.988 -1.914 . . . . 0.0 109.103 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.39 -44.29 96.79 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.162 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 HD13 ' E' ' 44' ' ' LEU . 1.4 mm -63.87 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.9 m -56.45 -48.94 75.99 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 45' ' ' ILE . 56.0 mt -62.6 -39.31 93.37 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.569 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.2 tp -75.36 -26.36 58.46 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.712 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 40' ' ' ILE . 3.1 mt -72.25 -34.69 68.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.8 mt -62.02 -41.07 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.47 -40.21 95.91 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.827 0.704 . . . . 0.0 109.304 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.8 OUTLIER -62.15 -43.28 99.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -62.54 -46.38 88.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.23 -42.64 99.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.07 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -64.08 -40.77 96.98 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.044 0.84 . . . . 0.0 110.417 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.42 94.48 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.51 -42.58 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.062 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.481 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.6 ttp180 -60.11 -43.37 95.64 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.698 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.481 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.472 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -65.33 -27.7 68.78 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.464 0.477 . . . . 0.0 109.786 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.764 HG23 ' CD1' ' A' ' 37' ' ' LEU . 84.5 mt -63.28 -43.71 98.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -60.24 -41.94 94.22 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.809 0.693 . . . . 0.0 109.733 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.74 -44.88 93.59 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.545 0.528 . . . . 0.0 109.615 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.31 -37.21 80.37 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 123.714 0.634 . . . . 0.0 111.054 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.755 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.0 mt -66.86 -43.61 83.14 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.6 mt -60.43 -42.17 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 125.349 1.656 . . . . 0.0 108.379 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.67 -43.75 95.77 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.554 HG22 HD12 ' B' ' 44' ' ' LEU . 1.3 mm -63.18 -42.09 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.0 m -58.59 -48.74 79.93 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 45' ' ' ILE . 56.1 mt -61.84 -40.98 97.2 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.928 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.2 tp -66.58 -50.76 62.03 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.554 HD12 HG22 ' B' ' 40' ' ' ILE . 2.3 mt -52.98 -33.72 52.67 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.963 0.347 . . . . 0.0 110.855 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 42' ' ' LEU . 54.6 mt -62.9 -42.02 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.447 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.71 -39.78 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 124.009 0.818 . . . . 0.0 109.153 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.472 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.8 OUTLIER -62.44 -42.75 99.68 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.867 0.73 . . . . 0.0 109.203 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.83 -46.67 86.86 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.69 -41.53 99.15 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.117 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.09 -42.09 99.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.06 90.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.253 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.19 -42.7 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.108 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.474 HH21 HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.27 -43.3 96.32 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.379 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.474 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.426 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.204 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -65.26 -26.86 68.28 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' B' ' 37' ' ' LEU . 89.5 mt -63.16 -44.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.36 -42.06 94.97 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.816 0.698 . . . . 0.0 109.389 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.2 -43.48 92.22 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.599 0.562 . . . . 0.0 109.819 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -50.8 65.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.044 0.84 . . . . 0.0 109.526 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.746 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.8 mt -56.82 -44.75 82.33 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.497 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.52 -43.82 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 125.068 1.48 . . . . 0.0 108.083 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.93 -43.63 98.27 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' B' ' 41' ' ' CYS . 3.5 mm -62.75 -44.28 99.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.1 m -56.65 -47.12 80.46 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.989 0.515 . . . . 0.0 109.744 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' C' ' 45' ' ' ILE . 57.2 mt -62.68 -35.47 79.79 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.594 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -78.37 -28.21 47.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.131 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.526 ' HB3' HD23 ' D' ' 43' ' ' LEU . 2.7 mp -70.12 -35.61 74.23 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' C' ' 42' ' ' LEU . 64.0 mt -61.03 -41.6 89.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.0 -41.55 98.19 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.355 0.817 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.42 -40.28 96.02 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.818 0.699 . . . . 0.0 109.272 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.8 OUTLIER -62.29 -43.1 99.61 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.817 0.698 . . . . 0.0 109.123 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -62.76 -46.16 89.34 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.27 -42.65 99.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.101 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -64.01 -40.79 97.13 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.993 0.808 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.29 94.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.485 0.491 . . . . 0.0 109.716 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.54 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.013 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.6 ttp180 -60.22 -43.42 96.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.601 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.029 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.57 -26.98 68.1 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' C' ' 37' ' ' LEU . 89.9 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' D' ' 37' ' ' LEU . 14.2 m120 -59.42 -42.1 91.07 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.389 1.056 . . . . 0.0 109.826 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.93 -44.03 94.59 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.525 0.515 . . . . 0.0 109.779 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.7 t -69.56 -34.73 74.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.59 0.556 . . . . 0.0 111.712 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.752 ' CD1' HG23 ' E' ' 33' ' ' ILE . 15.5 mt -69.6 -43.87 71.89 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -60.49 -41.2 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.882 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.45 -43.27 94.77 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.325 1.016 . . . . 0.0 108.743 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.526 HD12 HD13 ' C' ' 44' ' ' LEU . 10.6 mm -64.17 -42.57 95.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.4 m -57.66 -48.76 78.6 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.96 0.787 . . . . 0.0 109.3 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' D' ' 45' ' ' ILE . 56.9 mt -62.38 -41.65 98.8 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.669 1.23 . . . . 0.0 110.453 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.4 tp -66.17 -50.3 64.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.575 HD13 HG23 ' E' ' 40' ' ' ILE . 9.3 mt -50.92 -35.51 33.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.868 0.467 . . . . 0.0 110.807 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 42' ' ' LEU . 57.1 mt -62.83 -42.09 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.6 m -64.56 -37.72 88.55 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--N 1.36 1.061 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.189 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.48 -40.39 96.52 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.965 0.791 . . . . 0.0 109.316 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.442 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.8 OUTLIER -61.94 -43.26 99.21 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.8 -46.19 89.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.204 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.19 -42.83 99.65 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.001 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.137 0.898 . . . . 0.0 110.511 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.26 94.25 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.809 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.67 -42.46 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.029 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.6 ttp180 -60.29 -43.38 96.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.577 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.422 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.092 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -65.34 -27.39 68.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.752 HG23 ' CD1' ' D' ' 37' ' ' LEU . 87.7 mt -63.21 -43.93 99.04 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.68 -41.73 91.33 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.963 0.789 . . . . 0.0 109.628 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -59.89 -43.74 94.62 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.723 0.639 . . . . 0.0 109.962 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -65.09 -48.76 72.56 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.973 0.796 . . . . 0.0 109.901 178.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.747 ' CD1' HG23 ' A' ' 33' ' ' ILE . 16.6 mt -57.7 -44.96 86.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.336 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -61.91 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.551 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.96 -44.65 96.31 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.575 HG23 HD13 ' D' ' 44' ' ' LEU . 66.9 mt -66.29 -40.81 87.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.726 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -56.2 -47.67 77.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -62.56 -40.84 98.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.561 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' D' ' 44' ' ' LEU . 12.9 tp -65.98 -50.57 63.85 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 40' ' ' ILE . 2.6 mt -53.37 -33.48 53.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.322 0.249 . . . . 0.0 110.652 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.3 mt -62.66 -41.58 92.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.93 -37.65 88.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.272 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.237 0.429 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.1 -40.56 96.26 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.94 0.775 . . . . 0.0 109.185 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.99 -42.74 99.47 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -62.62 -45.79 91.22 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.94 -41.46 99.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -63.69 -40.29 96.43 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.427 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.46 93.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.749 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.5 -42.5 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.132 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.1 ttp180 -59.26 -42.43 91.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.583 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.494 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.331 0 O-C-N 123.89 0.744 . . . . 0.0 109.468 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 119.808 -0.139 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -75.0 -59.44 2.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 HD11 ' E' ' 37' ' ' LEU . 74.2 mt -63.24 -47.34 92.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.241 0.473 . . . . 0.0 110.443 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 62.2 t80 -56.47 -44.27 80.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.67 -53.69 37.77 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.641 1.213 . . . . 0.0 110.183 178.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD1' HG23 ' B' ' 33' ' ' ILE . 20.5 mt -55.08 -46.95 75.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.398 1.094 . . . . 0.0 110.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -57.8 -42.15 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.035 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.3 mt -62.86 -42.22 99.67 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.787 HD11 ' SG ' ' E' ' 41' ' ' CYS . 21.5 mm -64.14 -43.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.309 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 67.9 m -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 0.0 109.356 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.08 -40.17 94.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.591 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.52 -29.03 62.21 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.803 0.69 . . . . 0.0 111.558 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' B' ' 40' ' ' ILE . 8.2 mt -67.91 -40.24 83.45 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -42.64 96.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 114.57 -1.195 . . . . 0.0 107.988 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.217 -0.614 0 O-C-N 123.921 0.763 . . . . 0.0 109.986 178.052 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.92 -40.89 97.06 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.368 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.6 -46.47 88.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.82 -41.05 99.14 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.108 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -63.19 -40.44 97.51 Favored 'General case' 0 C--O 1.223 -0.323 0 O-C-N 124.012 0.82 . . . . 0.0 110.119 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.09 84.19 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.274 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -44.93 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.818 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 11.6 ptt180 -70.46 -28.71 65.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 . . . . . 0 C--N 1.356 0.853 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 111.205 0.076 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -74.35 -59.54 2.68 Favored 'General case' 0 C--O 1.244 0.812 0 O-C-N 123.708 0.63 . . . . 0.0 112.532 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 37' ' ' LEU . 72.3 mt -63.22 -47.12 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.71 -41.02 97.06 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.44 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 55.6 t80 -56.63 -44.41 81.2 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.702 0.626 . . . . 0.0 109.378 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -66.49 -52.64 43.86 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.02 0.825 . . . . 0.0 110.877 178.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.629 HD11 HG23 ' C' ' 33' ' ' ILE . 34.5 mt -55.92 -44.46 78.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.41 0.624 . . . . 0.0 110.78 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.45 -42.97 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.126 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.5 mt -62.62 -41.73 99.18 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.513 0.508 . . . . 0.0 110.055 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 44' ' ' LEU . 5.5 mm -63.16 -44.75 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 86.1 m -57.07 -47.98 79.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.86 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.74 -43.49 96.35 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.571 -1.195 . . . . 0.0 111.054 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.36 -48.41 73.05 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.91 -39.55 59.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.515 0.326 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.36 -43.42 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 N--CA 1.469 0.484 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.933 178.146 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.78 -40.41 95.09 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 124.2 0.937 . . . . 0.0 109.264 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.429 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.01 -43.01 99.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.22 -46.29 89.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.91 -41.37 99.42 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.103 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.77 -40.49 96.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.425 0.69 . . . . 0.0 110.306 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.33 92.98 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.51 -42.38 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.708 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -60.44 -41.96 95.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.053 179.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--O 1.225 -0.218 0 CA-C-O 119.682 -0.199 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.24 -58.65 3.15 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.765 0.665 . . . . 0.0 112.185 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.629 HG23 HD11 ' B' ' 37' ' ' LEU . 70.3 mt -63.75 -47.28 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -62.2 -40.62 96.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.308 0.504 . . . . 0.0 110.477 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.8 t80 -56.74 -44.9 82.16 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -52.75 45.05 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.893 0.746 . . . . 0.0 110.433 178.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' D' ' 33' ' ' ILE . 33.6 mt -54.94 -45.9 74.89 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.896 0.855 . . . . 0.0 110.342 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.75 -42.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 113.72 -1.582 . . . . 0.0 108.855 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.4 mt -61.29 -42.17 98.21 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.454 HD11 ' SG ' ' B' ' 41' ' ' CYS . 6.0 mm -63.29 -43.87 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 62.7 m -55.97 -49.09 74.54 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.739 0.649 . . . . 0.0 109.485 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.65 -40.62 95.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -72.47 -28.34 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.588 0.555 . . . . 0.0 111.694 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' C' ' 47' ' ' ILE . 10.7 mt -68.61 -40.12 80.56 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.2 -42.3 95.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.6 -37.71 87.34 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.691 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' C' ' 44' ' ' LEU . 37.0 mt . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.94 -40.6 96.1 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.278 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.43 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.09 -42.54 99.32 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -62.5 -46.04 90.27 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.127 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.93 -41.3 99.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.257 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.77 -40.51 96.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.957 0.786 . . . . 0.0 110.359 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.38 93.45 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.47 -42.5 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.798 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.511 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.25 -42.21 94.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.813 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.511 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.305 0 O-C-N 124.024 0.828 . . . . 0.0 110.092 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--O 1.22 -0.465 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.84 -59.15 2.88 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.706 0.629 . . . . 0.0 112.513 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' C' ' 37' ' ' LEU . 70.2 mt -63.13 -47.23 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -62.13 -40.4 95.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.111 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.454 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 68.3 t80 -58.15 -44.41 87.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -64.59 -57.58 8.72 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 124.144 0.902 . . . . 0.0 109.598 178.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.613 HD11 HG23 ' E' ' 33' ' ' ILE . 13.8 mt -46.46 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 75.0 mt -33.94 -45.18 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.566 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.6 mt -63.4 -43.53 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.499 HG23 ' CD1' ' C' ' 44' ' ' LEU . 6.5 mm -60.37 -43.67 94.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 29.8 m -57.28 -48.49 78.77 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.35 -38.41 90.02 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.862 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.71 -29.06 62.05 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 123.525 0.516 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mt -68.02 -40.82 82.85 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.83 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.98 -38.61 91.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' D' ' 44' ' ' LEU . 37.8 mt . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -40.41 95.79 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 124.007 0.817 . . . . 0.0 109.145 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.415 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.72 99.53 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.79 -41.3 99.21 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.171 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -64.06 -40.22 95.79 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.878 0.736 . . . . 0.0 110.26 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.39 92.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.15 -42.78 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.877 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.15 -42.06 94.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.741 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.067 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.25 0.092 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -74.78 -59.13 2.87 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.679 0.612 . . . . 0.0 112.44 -178.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.613 HG23 HD11 ' D' ' 37' ' ' LEU . 68.1 mt -63.1 -47.53 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -40.96 95.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.119 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -58.04 -44.25 87.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.672 0.608 . . . . 0.0 109.489 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -64.23 -58.51 6.37 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.387 1.054 . . . . 0.0 109.499 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 33' ' ' ILE . 15.8 mt -46.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -35.41 -44.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 O-C-N 125.164 1.54 . . . . 0.0 110.606 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 31.5 mt -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 118.131 0.423 . . . . 0.0 110.531 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' D' ' 41' ' ' CYS . 6.0 mm -60.29 -44.32 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.802 0.689 . . . . 0.0 109.275 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.7 m -56.86 -47.14 81.11 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.961 0.788 . . . . 0.0 109.439 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.84 -41.49 95.67 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.467 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' E' ' 46' ' ' CYS . 32.0 tp -73.66 -26.14 60.6 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.36 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.715 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.0 mt -68.46 -39.87 81.28 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.23 -42.18 94.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . 0.454 ' HB2' HD12 ' E' ' 43' ' ' LEU . 97.8 m -63.3 -36.45 83.72 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.715 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' E' ' 44' ' ' LEU . 48.9 mt . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--O 1.223 -0.335 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.6 -39.85 85.56 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.983 0.802 . . . . 0.0 109.731 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.4 tm? -62.88 -43.24 99.32 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -63.63 -46.23 86.63 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.228 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -63.1 -38.21 90.29 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.286 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -62.53 -42.82 99.77 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 123.997 0.811 . . . . 0.0 109.55 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.81 93.15 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.808 0.693 . . . . 0.0 110.217 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.813 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.574 ' HE ' HH22 ' A' ' 14' ' ' ARG . 48.3 ttp180 -60.94 -36.97 80.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.065 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.574 HH22 ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.212 -0.906 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.783 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -63.12 -50.19 71.45 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.051 0.844 . . . . 0.0 112.365 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 ' CD1' ' E' ' 37' ' ' LEU . 63.1 mt -64.55 -44.61 96.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 123.442 0.464 . . . . 0.0 110.28 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -58.86 -45.89 89.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -59.83 -44.76 93.89 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.808 0.692 . . . . 0.0 110.382 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.89 -41.13 91.93 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' B' ' 33' ' ' ILE . 15.4 mt -65.27 -45.97 82.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.809 0.693 . . . . 0.0 109.234 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.6 mt -57.27 -41.33 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 112.905 -1.952 . . . . 0.0 107.588 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 35' ' ' PHE . 24.0 mt -62.84 -42.1 99.61 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 123.895 0.747 . . . . 0.0 109.801 176.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.592 HG23 HD11 ' E' ' 44' ' ' LEU . 32.9 mm -62.73 -43.97 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 60.8 m -55.24 -49.44 72.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.596 0.56 . . . . 0.0 109.713 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.56 -39.59 88.6 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.974 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.6 tp -74.35 -29.99 61.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.07 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.647 HD11 HG23 ' B' ' 40' ' ' ILE . 24.3 mt -63.29 -40.3 97.0 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.42 -44.92 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.682 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m . . . . . 0 C--N 1.348 0.5 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.553 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 . . . . . 0 C--O 1.224 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.69 -40.11 86.77 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.009 0.818 . . . . 0.0 109.495 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.443 HD13 ' C ' ' B' ' 7' ' ' LEU . 3.3 tm? -62.78 -43.26 99.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.928 0.767 . . . . 0.0 108.958 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.9 m -63.87 -46.0 86.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.242 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -63.24 -38.52 91.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.286 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -62.58 -42.79 99.77 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.981 0.801 . . . . 0.0 109.451 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.85 94.32 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.493 0.496 . . . . 0.0 110.158 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.93 -43.74 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.803 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.562 ' HE ' HH22 ' B' ' 14' ' ' ARG . 48.2 ttp180 -60.74 -36.95 80.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.073 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.562 HH22 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.213 -0.845 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.694 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 120.424 0.154 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -62.98 -50.2 71.71 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.42 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 ' CD1' ' A' ' 37' ' ' LEU . 61.1 mt -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 O-C-N 123.624 0.577 . . . . 0.0 110.131 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -59.54 -44.81 93.11 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.6 t80 -59.6 -43.99 93.53 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.877 0.736 . . . . 0.0 110.261 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -64.0 -52.99 56.96 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.514 0.509 . . . . 0.0 110.623 179.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' C' ' 33' ' ' ILE . 12.2 mt -56.62 -44.07 80.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.63 -41.37 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 125.42 1.7 . . . . 0.0 108.07 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' B' ' 35' ' ' PHE . 26.8 mt -63.16 -41.34 99.23 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 109.79 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 44' ' ' LEU . 37.9 mm -62.75 -45.1 99.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.124 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 70.2 m -55.58 -48.87 74.12 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.511 0.507 . . . . 0.0 109.675 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.6 -39.35 88.34 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.74 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 tp -74.23 -30.21 62.06 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.812 0.445 . . . . 0.0 111.956 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' C' ' 40' ' ' ILE . 16.1 mt -63.61 -39.71 95.07 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.7 -44.5 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m . . . . . 0 N--CA 1.472 0.629 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.73 179.234 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.47 -40.14 85.98 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 123.68 0.613 . . . . 0.0 109.666 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.451 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.68 -43.26 99.26 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.85 -45.91 87.37 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.517 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -63.22 -38.27 90.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.284 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -62.69 -42.62 99.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.925 0.765 . . . . 0.0 109.573 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.14 -42.78 93.52 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.623 0.577 . . . . 0.0 110.101 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.98 -43.85 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.584 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.49 -37.04 79.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.058 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.584 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.912 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.782 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.538 0.519 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -63.3 -49.86 72.35 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.671 0.607 . . . . 0.0 112.456 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.5 mt -64.8 -44.58 96.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.279 0.362 . . . . 0.0 110.198 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -59.1 -45.52 90.67 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' C' ' 39' ' ' LEU . 38.6 t80 -59.15 -44.34 92.09 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.377 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -63.75 -53.26 53.79 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.189 0.93 . . . . 0.0 110.324 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 33' ' ' ILE . 12.4 mt -55.5 -46.42 76.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.63 -42.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 125.396 1.685 . . . . 0.0 108.589 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' C' ' 35' ' ' PHE . 26.3 mt -63.6 -41.06 98.36 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.419 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' B' ' 44' ' ' LEU . 38.1 mm -62.21 -43.76 98.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 66.0 m -56.46 -48.14 77.7 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.45 -39.2 88.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.373 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.37 -30.92 62.18 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 123.118 0.567 . . . . 0.0 112.105 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.657 HD11 HG23 ' D' ' 40' ' ' ILE . 27.1 mt -62.88 -40.24 96.9 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.9 -44.63 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.804 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.4 m -64.09 -33.03 74.84 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' C' ' 44' ' ' LEU . 19.5 mt . . . . . 0 C--N 1.344 0.329 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.58 -40.51 87.63 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.835 0.709 . . . . 0.0 109.667 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.458 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -62.23 -43.79 98.04 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.56 -45.79 88.9 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.36 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -62.66 -39.24 93.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.143 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.4 m -63.2 -41.6 99.18 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.929 0.768 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.06 96.24 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.616 0.572 . . . . 0.0 109.898 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.95 -43.62 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.715 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH22 ' D' ' 14' ' ' ARG . 49.8 ttp180 -60.7 -37.32 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.09 177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.463 HH22 ' HE ' ' D' ' 13' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.208 -1.086 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.69 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -62.84 -50.2 71.88 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.767 0.667 . . . . 0.0 112.258 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.4 mt -64.23 -44.84 97.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 123.7 0.625 . . . . 0.0 110.25 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -59.52 -45.17 92.53 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' D' ' 39' ' ' LEU . 38.1 t80 -59.11 -44.45 91.99 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.959 0.787 . . . . 0.0 110.006 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -63.92 -53.22 53.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.895 0.747 . . . . 0.0 110.78 179.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.548 ' CD1' HG23 ' E' ' 33' ' ' ILE . 11.9 mt -56.44 -44.71 80.74 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.09 -42.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.152 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' D' ' 35' ' ' PHE . 28.4 mt -62.87 -41.96 99.59 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.657 HG23 HD11 ' C' ' 44' ' ' LEU . 36.2 mm -62.87 -43.47 98.91 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 65.1 m -55.89 -48.78 75.01 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.86 -39.17 87.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.954 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.9 -30.37 61.27 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.921 0.489 . . . . 0.0 112.011 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.611 HD11 HG23 ' E' ' 40' ' ' ILE . 20.0 mt -62.94 -40.23 97.0 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -65.97 -44.74 92.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.631 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.93 -32.57 74.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.724 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' D' ' 44' ' ' LEU . 19.4 mt . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.48 -40.55 87.3 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.946 0.779 . . . . 0.0 109.689 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.442 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.3 tm? -62.28 -43.69 98.24 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -63.59 -45.62 89.54 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.349 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -63.04 -39.18 93.96 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.273 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -63.55 -41.18 98.45 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.998 0.812 . . . . 0.0 109.767 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.07 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.538 0.524 . . . . 0.0 109.807 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.13 -43.75 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 115.234 -0.893 . . . . 0.0 108.632 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH22 ' E' ' 14' ' ' ARG . 49.7 ttp180 -60.34 -37.3 80.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.169 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.472 HH22 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.75 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.627 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.419 0.152 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -62.93 -50.37 71.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.548 HG23 ' CD1' ' D' ' 37' ' ' LEU . 65.7 mt -64.31 -44.74 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 123.475 0.485 . . . . 0.0 110.323 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -59.53 -45.1 92.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.9 t80 -59.55 -44.01 93.37 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.945 0.778 . . . . 0.0 110.366 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.15 -52.86 57.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.588 0.555 . . . . 0.0 110.519 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.541 ' CD1' HG23 ' A' ' 33' ' ' ILE . 11.9 mt -56.25 -45.79 79.9 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.279 0.561 . . . . 0.0 109.927 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.85 -42.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.146 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' E' ' 35' ' ' PHE . 27.1 mt -63.91 -41.59 97.64 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 119.11 -0.471 . . . . 0.0 109.979 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.611 HG23 HD11 ' D' ' 44' ' ' LEU . 33.6 mm -62.03 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.58 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 63.7 m -54.45 -49.02 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.128 0.893 . . . . 0.0 109.774 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.68 -39.3 88.06 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.986 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 tp -74.93 -30.08 61.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.861 0.464 . . . . 0.0 111.846 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 40' ' ' ILE . 20.1 mt -63.35 -40.11 96.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.74 -44.64 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.651 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 95.3 m -63.94 -32.77 74.42 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.716 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' E' ' 44' ' ' LEU . 19.2 mt . . . . . 0 C--N 1.346 0.417 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.89 -40.91 95.84 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.051 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.7 tm? -60.2 -42.65 95.54 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.724 0.64 . . . . 0.0 110.14 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -62.06 -45.77 92.08 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.12 -44.7 96.07 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.981 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 m -64.55 -40.12 95.01 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.861 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.25 94.57 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.862 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.21 -43.08 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.951 0.782 . . . . 0.0 109.048 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.427 HH21 ' NH2' ' A' ' 14' ' ' ARG . 52.2 ttp180 -60.56 -22.14 63.34 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.628 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 O-C-N 123.846 0.716 . . . . 0.0 110.241 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.29 -52.59 63.1 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.006 0.816 . . . . 0.0 111.545 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' E' ' 37' ' ' LEU . 67.4 mt -67.89 -44.38 85.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 124.107 0.88 . . . . 0.0 111.087 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.69 -42.92 98.13 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 32.5 t80 -58.45 -43.98 89.01 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -64.14 -50.56 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.136 0.272 . . . . 0.0 110.315 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.0 mt -58.06 -46.29 85.64 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.525 0.678 . . . . 0.0 110.498 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.13 -42.44 90.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.331 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.5 mt -62.47 -43.88 97.75 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 175.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' E' ' 41' ' ' CYS . 17.0 mm -64.6 -42.85 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 78.0 m -58.95 -47.49 84.9 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 123.925 0.765 . . . . 0.0 109.534 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.4 -40.12 96.34 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.621 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.2 -50.56 65.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.428 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD13 HD12 ' B' ' 40' ' ' ILE . 3.0 mp -51.94 -41.04 61.73 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 119.059 0.845 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.65 -43.75 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.476 0.859 0 O-C-N 123.433 0.458 . . . . 0.0 110.261 178.307 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.63 -41.07 93.09 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.204 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.8 tm? -60.49 -42.1 95.64 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.694 0.621 . . . . 0.0 110.185 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.3 -46.03 90.59 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.805 0.691 . . . . 0.0 109.348 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.07 -44.83 95.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.895 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -64.3 -39.96 94.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.951 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.06 95.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.014 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.37 -43.21 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.945 0.778 . . . . 0.0 109.085 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' B' ' 14' ' ' ARG . 52.3 ttp180 -60.4 -22.17 63.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.657 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 0.0 110.265 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -62.68 -52.2 64.25 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.829 0.705 . . . . 0.0 111.563 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 37' ' ' LEU . 64.0 mt -67.63 -45.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.536 0.523 . . . . 0.0 111.042 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.5 -43.14 97.34 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' B' ' 39' ' ' LEU . 34.2 t80 -58.75 -43.71 90.34 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.17 -50.33 68.56 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 123.844 0.715 . . . . 0.0 110.475 178.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 13.8 mt -59.23 -46.5 88.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.31 -44.1 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.408 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' B' ' 35' ' ' PHE . 24.0 mt -63.23 -42.87 99.29 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.677 0.611 . . . . 0.0 109.714 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 44' ' ' LEU . 21.1 mm -63.0 -44.5 99.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.3 m -58.4 -47.92 82.33 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.94 -39.12 93.66 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.368 1.042 . . . . 0.0 109.744 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.27 -28.14 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.915 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.95 -41.49 86.83 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.89 -42.9 98.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.899 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.164 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.16 -41.11 90.82 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.8 tm? -60.19 -42.36 94.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.58 0.55 . . . . 0.0 110.212 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -62.1 -45.9 91.43 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.998 0.811 . . . . 0.0 109.292 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.28 -44.34 96.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.892 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -64.39 -39.95 94.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.845 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.9 95.53 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.859 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.37 -43.29 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 124.092 0.87 . . . . 0.0 108.831 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.425 HH21 ' NH2' ' C' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -22.05 63.28 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.643 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.425 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 O-C-N 123.899 0.749 . . . . 0.0 110.224 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 119.872 -0.108 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -62.53 -52.56 62.96 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 111.63 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 63.9 mt -67.69 -44.82 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.209 -0.424 . . . . 0.0 110.877 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.62 -42.73 97.45 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.317 0.386 . . . . 0.0 110.03 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 33.1 t80 -58.33 -43.71 88.37 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.15 -51.7 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.762 0.663 . . . . 0.0 110.042 179.007 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' D' ' 33' ' ' ILE . 13.4 mt -57.35 -45.71 84.08 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.398 0.618 . . . . 0.0 110.171 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.69 -42.9 93.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.971 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 27.4 mt -63.52 -43.29 97.58 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.71 -44.49 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.9 0.75 . . . . 0.0 109.278 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 76.1 m -59.07 -46.53 88.02 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 123.715 0.634 . . . . 0.0 110.029 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -38.58 91.58 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.762 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.49 -28.95 62.2 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.868 0.73 . . . . 0.0 112.172 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.23 -41.73 89.65 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.32 -43.13 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.661 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.4 -41.54 98.76 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.676 0.61 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.228 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.87 -40.82 92.01 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.062 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -60.26 -42.42 95.32 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.55 0.531 . . . . 0.0 110.175 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.87 -45.99 91.36 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -62.11 -44.7 96.06 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.822 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -64.43 -40.2 95.29 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.758 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.07 95.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.731 0.644 . . . . 0.0 109.948 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.45 -43.23 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.167 0.917 . . . . 0.0 108.86 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.422 HH21 ' NH2' ' D' ' 14' ' ' ARG . 52.3 ttp180 -60.34 -22.14 62.91 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.674 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.422 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.598 0 O-C-N 123.89 0.744 . . . . 0.0 110.323 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.4 tp . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.79 -52.55 62.76 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 123.937 0.773 . . . . 0.0 111.653 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.9 mt -67.54 -45.01 86.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.954 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.7 -42.93 98.16 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -58.22 -43.76 87.86 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.159 0.912 . . . . 0.0 109.382 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.74 -52.08 62.05 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.227 0.329 . . . . 0.0 110.15 178.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.8 mt -58.7 -45.04 90.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.8 -44.16 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 CA-C-N 113.515 -1.675 . . . . 0.0 108.49 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.3 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 123.887 0.742 . . . . 0.0 110.361 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.68 -43.99 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.2 m -57.86 -46.77 84.33 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 123.92 0.762 . . . . 0.0 109.943 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.37 -38.11 89.86 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.399 1.062 . . . . 0.0 109.458 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.62 -29.11 61.16 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.003 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' E' ' 40' ' ' ILE . 3.2 mp -65.95 -41.4 91.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.38 -43.24 97.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 108.792 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.65 -41.59 98.2 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.749 0.656 . . . . 0.0 109.656 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.24 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.65 -41.24 92.82 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.101 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.499 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.9 tm? -60.36 -42.42 95.71 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.638 0.586 . . . . 0.0 110.124 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.27 -45.89 91.24 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.23 -44.6 96.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.843 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 57.4 m -64.39 -40.08 95.11 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.688 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.98 95.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.877 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.35 -43.18 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.98 0.8 . . . . 0.0 108.915 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' E' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -21.92 63.16 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.655 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.347 0.481 0 O-C-N 123.837 0.711 . . . . 0.0 110.211 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp . . . . . 0 C--O 1.224 -0.281 0 CA-C-O 119.79 -0.148 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.32 -52.41 63.77 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.202 0.939 . . . . 0.0 111.819 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.564 HG23 ' CD1' ' D' ' 37' ' ' LEU . 66.2 mt -67.95 -44.51 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.03 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.29 -43.07 96.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.579 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.2 t80 -60.04 -43.6 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 124.157 0.91 . . . . 0.0 109.124 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -62.04 -53.89 49.16 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.777 0.673 . . . . 0.0 109.831 178.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 33' ' ' ILE . 7.5 mt -52.45 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.372 1.574 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -31.19 -47.06 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 O-C-N 124.617 1.198 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.579 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 28.4 mt -62.84 -45.86 90.63 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 117.478 0.126 . . . . 0.0 111.192 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' E' ' 37' ' ' LEU . 11.1 mm -61.98 -44.05 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 60.3 m -58.17 -46.64 85.39 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.833 0.708 . . . . 0.0 109.92 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.01 -37.43 87.38 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.755 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.89 -29.07 61.87 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.102 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 40' ' ' ILE . 3.2 mp -66.01 -41.29 91.21 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.72 -42.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.731 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.7 m -63.59 -41.37 98.35 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.497 0.498 . . . . 0.0 109.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.158 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.42 -39.99 95.09 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.119 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -42.62 99.21 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.895 0.747 . . . . 0.0 109.074 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.57 -46.46 88.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.83 -41.27 99.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.034 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -65.18 -38.24 89.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.157 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.86 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.535 0.522 . . . . 0.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.8 mt -65.17 -43.11 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.0 ttp180 -60.49 -41.58 94.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.611 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.421 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.361 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.648 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 119.773 -0.156 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -71.94 -59.43 2.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 HD11 ' E' ' 37' ' ' LEU . 71.8 mt -64.59 -45.57 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.106 -176.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 HD21 ' N ' ' B' ' 33' ' ' ILE . 30.5 m120 -61.79 -41.42 97.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.888 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 43.9 t80 -57.92 -44.75 87.03 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.347 0.405 . . . . 0.0 110.004 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.29 -51.75 58.68 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 178.376 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD11 HG23 ' B' ' 33' ' ' ILE . 22.1 mt -56.41 -46.43 80.18 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -57.38 -44.11 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 125.487 1.742 . . . . 0.0 109.117 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 27.8 mt -61.2 -42.57 98.82 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' E' ' 41' ' ' CYS . 3.3 mm -64.65 -42.9 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 124.151 0.907 . . . . 0.0 109.102 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 83.8 m -56.82 -50.35 72.64 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.955 0.784 . . . . 0.0 109.275 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 45' ' ' ILE . 60.5 mt -62.86 -41.0 99.2 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 124.363 1.039 . . . . 0.0 110.606 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.3 tp -72.79 -24.09 60.88 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.282 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 40' ' ' ILE . 1.8 mt -75.74 -35.76 60.11 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 42' ' ' LEU . 54.9 mt -61.91 -41.68 91.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.626 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.987 0.805 . . . . 0.0 109.238 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.418 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.061 0.851 . . . . 0.0 108.938 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -62.45 -45.99 90.55 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.31 -41.71 98.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.983 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -64.63 -38.54 91.35 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.299 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.87 94.81 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.4 -42.9 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.43 -41.62 94.38 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.619 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.638 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.7 tp . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 119.724 -0.179 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -72.95 -58.95 2.95 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.57 HG23 HD11 ' A' ' 37' ' ' LEU . 68.5 mt -64.57 -45.71 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.88 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.426 HD21 ' N ' ' C' ' 33' ' ' ILE . 30.8 m120 -61.61 -40.94 96.62 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.613 0.642 . . . . 0.0 109.901 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 48.4 t80 -58.84 -45.28 90.42 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.566 0.541 . . . . 0.0 109.588 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -63.26 -53.93 45.27 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.565 0.541 . . . . 0.0 109.89 178.256 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.58 HD11 HG23 ' C' ' 33' ' ' ILE . 16.4 mt -49.78 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.368 1.398 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.5 mt -33.54 -45.4 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 O-C-N 124.93 1.394 . . . . 0.0 111.241 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.1 mt -61.78 -45.3 94.46 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.561 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 mm -62.31 -42.31 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 38.4 m -57.21 -49.11 77.03 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.159 0.912 . . . . 0.0 109.319 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.9 mt -63.23 -41.14 99.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.357 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.4 tp -71.85 -25.0 61.79 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 123.563 0.539 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.467 ' HB3' HD23 ' C' ' 43' ' ' LEU . 1.9 mt -74.57 -36.94 63.08 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' B' ' 42' ' ' LEU . 56.8 mt -62.34 -40.94 89.76 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.349 0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.582 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.76 -39.14 93.25 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.937 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.444 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.6 OUTLIER -62.55 -41.73 99.08 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.875 0.734 . . . . 0.0 109.098 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -62.57 -46.71 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -63.47 -40.55 97.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.059 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.89 -40.61 96.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.86 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.64 91.4 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.722 0.639 . . . . 0.0 110.125 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.83 -43.13 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.534 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -60.78 -41.05 94.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.545 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.534 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.347 0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.93 -57.26 4.75 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.58 HG23 HD11 ' B' ' 37' ' ' LEU . 71.7 mt -65.29 -45.13 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 118.616 -0.706 . . . . 0.0 111.643 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.455 HD21 ' N ' ' D' ' 33' ' ' ILE . 28.6 m120 -61.66 -41.28 97.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.888 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 49.9 t80 -58.08 -44.86 87.81 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 123.708 0.63 . . . . 0.0 109.564 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.16 -58.74 6.21 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 16.6 mt -45.61 -71.82 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -35.62 -45.1 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.909 1.381 . . . . 0.0 111.098 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.8 mt -63.55 -45.51 90.23 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.561 HG22 HD12 ' C' ' 44' ' ' LEU . 3.3 mm -60.01 -42.81 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 29.8 m -59.1 -48.94 79.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.904 0.752 . . . . 0.0 109.695 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' C' ' 45' ' ' ILE . 53.7 mt -62.91 -39.84 95.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.467 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.6 tp -73.92 -27.05 60.83 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' D' ' 40' ' ' ILE . 2.7 mt -72.71 -36.13 67.76 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 42' ' ' LEU . 55.9 mt -62.92 -41.26 92.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.81 -40.61 95.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' C' ' 44' ' ' LEU . 73.7 mt . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.29 -39.85 94.32 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.26 -42.35 99.25 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.48 -45.98 90.54 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.707 0.629 . . . . 0.0 109.31 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -63.55 -41.22 98.45 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.929 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -65.06 -38.26 90.23 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.223 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -43.03 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.427 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.43 -41.7 94.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.625 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.427 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.662 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 119.884 -0.103 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -71.64 -60.04 2.44 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' C' ' 37' ' ' LEU . 71.6 mt -64.4 -45.5 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.067 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.456 HD21 ' N ' ' E' ' 33' ' ' ILE . 31.3 m120 -61.7 -41.57 97.77 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.052 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 44.9 t80 -56.71 -44.47 81.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -54.9 23.93 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.979 0.799 . . . . 0.0 110.266 178.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' E' ' 33' ' ' ILE . 29.2 mt -53.88 -46.18 71.27 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.727 0.642 . . . . 0.0 109.443 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.01 -42.59 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 125.174 1.546 . . . . 0.0 108.772 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.2 mt -62.24 -43.97 97.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.393 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.757 HD11 ' SG ' ' C' ' 41' ' ' CYS . 39.5 mm -63.77 -42.85 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.327 1.017 . . . . 0.0 110.011 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 70.8 m -57.6 -48.67 78.77 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.008 0.818 . . . . 0.0 108.81 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.0 mt -62.75 -41.36 99.17 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.898 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.3 tp -66.14 -50.88 62.45 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.569 HD13 HG23 ' E' ' 40' ' ' ILE . 6.9 mt -52.18 -36.58 52.17 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.623 0.369 . . . . 0.0 110.409 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.4 mt -62.7 -42.62 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.28 -37.95 89.32 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.2 mt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -62.17 -39.87 94.12 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.422 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.25 -42.3 99.2 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.74 -46.3 88.71 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -63.17 -40.86 98.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.101 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 62.2 m -65.57 -37.9 88.0 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.052 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.45 92.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.41 -42.72 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.42 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.9 ttp180 -61.0 -41.76 97.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.634 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.42 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.412 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.682 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.237 0.442 0 CA-C-O 120.009 -0.043 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.26 -60.95 2.0 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -64.03 -46.24 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.155 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.471 HD21 ' N ' ' A' ' 33' ' ' ILE . 31.5 m120 -60.54 -41.81 95.23 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.382 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 38.5 t80 -57.88 -44.79 86.89 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.477 0.485 . . . . 0.0 110.141 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -67.63 -40.24 84.61 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.375 0.422 . . . . 0.0 111.848 179.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 33' ' ' ILE . 30.2 mt -65.21 -46.94 78.66 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.769 0.795 . . . . 0.0 109.773 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.4 -42.1 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.944 -1.934 . . . . 0.0 109.181 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.528 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 20.6 mt -61.01 -45.11 96.15 Favored 'General case' 0 C--N 1.347 0.47 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.569 HG23 HD13 ' D' ' 44' ' ' LEU . 62.1 mt -67.48 -40.67 84.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 O-C-N 124.121 0.888 . . . . 0.0 110.221 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 79.3 m -56.09 -49.0 75.06 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.484 ' HA ' HD12 ' E' ' 45' ' ' ILE . 59.3 mt -62.9 -41.45 99.44 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.349 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.0 tp -64.56 -50.69 66.26 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' E' ' 47' ' ' ILE . 3.1 mt -53.84 -34.77 60.3 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.147 0.43 . . . . 0.0 110.521 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' E' ' 42' ' ' LEU . 57.7 mt -62.37 -42.13 94.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.31 -38.36 90.77 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.5 mt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -62.83 -40.05 96.22 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.04 0.837 . . . . 0.0 109.156 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.84 -42.65 99.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.7 -46.36 88.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.59 -41.43 98.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.117 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.76 -40.76 95.82 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.058 0.849 . . . . 0.0 110.306 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.84 96.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.61 -42.26 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.959 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.0 ttp180 -60.64 -43.44 97.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.917 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 110.898 -0.038 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.43 -51.37 66.01 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.764 0.665 . . . . 0.0 112.774 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' E' ' 37' ' ' LEU . 60.2 mt -64.69 -44.85 96.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 O-C-N 123.437 0.461 . . . . 0.0 110.327 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.43 HD21 ' N ' ' B' ' 33' ' ' ILE . 8.6 m120 -60.61 -44.12 96.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 39' ' ' LEU . 48.0 t80 -58.72 -43.59 90.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.89 0.744 . . . . 0.0 109.931 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -64.92 -53.21 49.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.843 0.715 . . . . 0.0 110.517 179.44 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.5 mt -55.98 -45.19 79.03 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.52 -41.44 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.565 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.6 mt -64.15 -41.77 97.04 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.525 HG23 HD11 ' E' ' 44' ' ' LEU . 36.8 mm -62.37 -44.7 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 68.0 m -57.24 -49.78 74.94 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.609 0.568 . . . . 0.0 109.874 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 mt -62.29 -43.65 98.33 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.354 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 44' ' ' LEU . 12.0 tp -66.82 -48.21 69.64 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.572 0.545 . . . . 0.0 109.771 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.586 HD11 HG23 ' B' ' 40' ' ' ILE . 14.3 mt -51.04 -34.9 31.64 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.508 0.323 . . . . 0.0 110.497 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.44 -42.23 94.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.139 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.66 -40.28 96.56 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 124.058 0.849 . . . . 0.0 109.054 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.42 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -42.73 99.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.3 m -62.67 -46.34 88.61 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.104 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.115 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.83 -40.78 95.73 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.933 0.771 . . . . 0.0 110.283 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.99 96.21 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.31 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.018 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.499 ' HE ' HH12 ' B' ' 14' ' ' ARG . 48.9 ttp180 -60.69 -43.4 97.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.499 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.8 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.22 -51.78 64.9 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.789 0.681 . . . . 0.0 112.734 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' A' ' 37' ' ' LEU . 58.3 mt -65.02 -44.64 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.633 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.441 HD21 ' N ' ' C' ' 33' ' ' ILE . 8.5 m120 -60.4 -43.54 96.59 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.544 0.528 . . . . 0.0 109.591 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' B' ' 39' ' ' LEU . 46.1 t80 -60.31 -44.72 95.18 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.062 0.851 . . . . 0.0 110.319 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -66.99 -39.73 87.21 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.847 0.717 . . . . 0.0 111.786 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.612 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.9 mt -66.11 -45.51 80.87 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.124 0.964 . . . . 0.0 109.036 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -56.46 -40.67 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 111.59 -2.55 . . . . 0.0 107.908 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -63.44 -41.9 98.66 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.819 177.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 44' ' ' LEU . 22.5 mm -62.99 -44.93 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 63.8 m -55.98 -49.98 72.1 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 123.001 0.52 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.18 -42.62 99.4 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.2 tp -75.88 -23.77 55.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.048 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.665 HD11 HG23 ' C' ' 40' ' ' ILE . 11.9 mt -70.19 -36.03 74.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -61.64 -41.64 91.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.239 0.502 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.472 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -62.07 -39.86 93.84 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.995 0.81 . . . . 0.0 109.314 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.442 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.7 OUTLIER -61.73 -43.12 99.46 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -62.87 -46.3 88.54 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.345 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.58 -41.32 98.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.197 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 68.8 m -64.85 -40.8 95.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.163 0.915 . . . . 0.0 110.27 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.93 96.66 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.99 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.76 -43.38 98.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.925 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.348 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.798 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 110.736 -0.098 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.1 -51.69 65.61 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.612 HG23 ' CD1' ' B' ' 37' ' ' LEU . 59.7 mt -64.84 -44.82 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 123.352 0.408 . . . . 0.0 110.146 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.46 HD21 ' N ' ' D' ' 33' ' ' ILE . 8.6 m120 -60.74 -43.38 97.99 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.628 0.58 . . . . 0.0 109.518 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' C' ' 39' ' ' LEU . 50.4 t80 -58.93 -43.83 91.24 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.038 0.836 . . . . 0.0 110.344 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.49 -53.84 41.77 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.658 0.599 . . . . 0.0 110.449 179.099 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.4 mt -55.29 -45.54 76.22 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.641 0.734 . . . . 0.0 109.553 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.9 mt -57.92 -41.1 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.436 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.9 mt -63.97 -41.3 97.59 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.665 HG23 HD11 ' B' ' 44' ' ' LEU . 32.7 mm -62.02 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 68.4 m -57.27 -49.89 74.63 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.66 -41.7 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.681 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -76.17 -24.22 54.78 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.59 0.556 . . . . 0.0 111.773 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.636 HD11 HG23 ' D' ' 40' ' ' ILE . 10.8 mt -69.73 -35.73 75.25 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.97 -41.7 91.95 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.66 -41.15 98.91 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.788 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.48 -40.05 95.42 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 124.026 0.829 . . . . 0.0 109.215 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.06 -42.59 99.36 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.62 -46.26 89.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.261 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.75 -41.34 99.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.112 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -64.84 -40.71 95.61 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.022 0.826 . . . . 0.0 110.362 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.44 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.49 -42.34 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.907 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.0 ttp180 -60.67 -43.32 97.8 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.068 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.409 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.866 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 110.748 -0.093 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -63.37 -51.92 63.87 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.82 0.7 . . . . 0.0 112.86 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' C' ' 37' ' ' LEU . 59.2 mt -64.9 -44.7 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.521 0.513 . . . . 0.0 110.301 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.448 HD21 ' N ' ' E' ' 33' ' ' ILE . 8.8 m120 -60.56 -43.99 96.66 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' D' ' 39' ' ' LEU . 45.9 t80 -58.45 -43.96 89.05 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.745 0.653 . . . . 0.0 110.314 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -53.64 43.71 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.754 0.659 . . . . 0.0 110.715 179.134 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.7 mt -55.82 -45.1 78.41 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.372 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.9 mt -57.65 -41.45 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 108.561 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' D' ' 35' ' ' PHE . 25.9 mt -63.68 -41.54 98.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.671 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.636 HG23 HD11 ' C' ' 44' ' ' LEU . 34.9 mm -62.22 -44.13 98.75 Favored 'Isoleucine or valine' 0 C--N 1.366 1.318 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 66.4 m -56.94 -49.92 74.19 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.86 0.725 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.42 -42.07 99.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.557 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -76.09 -24.1 55.02 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.478 0.486 . . . . 0.0 112.03 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 40' ' ' ILE . 10.8 mt -70.38 -35.35 73.45 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.12 -41.61 91.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.61 -41.12 98.8 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.648 0.593 . . . . 0.0 109.548 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.722 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.6 -40.19 96.14 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 124.103 0.877 . . . . 0.0 109.159 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.411 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.56 -46.34 88.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.216 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.77 -40.77 95.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.356 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.9 96.25 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.52 -42.4 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.85 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.0 ttp180 -60.6 -43.38 97.49 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.044 0.84 . . . . 0.0 109.984 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.323 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.831 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 119.938 -0.077 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -63.52 -51.56 64.94 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.831 0.707 . . . . 0.0 112.795 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.579 HG23 ' CD1' ' D' ' 37' ' ' LEU . 60.1 mt -64.77 -44.78 96.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 O-C-N 123.523 0.514 . . . . 0.0 110.137 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 33' ' ' ILE . 8.5 m120 -60.74 -44.03 97.18 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' E' ' 39' ' ' LEU . 49.4 t80 -58.66 -43.87 89.97 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.99 0.806 . . . . 0.0 110.182 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -64.78 -53.6 44.42 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.76 0.663 . . . . 0.0 110.634 179.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' A' ' 33' ' ' ILE . 13.2 mt -55.82 -44.88 78.32 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.264 0.554 . . . . 0.0 109.715 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.64 -41.77 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.294 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' E' ' 35' ' ' PHE . 28.9 mt -63.52 -41.64 98.49 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 44' ' ' LEU . 33.8 mm -62.54 -44.05 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 69.8 m -57.83 -49.73 75.69 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.66 0.6 . . . . 0.0 109.459 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.31 -43.61 98.42 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.267 0.979 . . . . 0.0 111.563 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.4 tp -67.29 -48.21 68.33 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.844 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 43' ' ' LEU . 15.9 mt -51.0 -34.36 28.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.542 0.337 . . . . 0.0 110.596 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -42.19 95.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.21 -38.69 91.96 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.7 mt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.97 -40.51 97.93 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.419 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.5 tm? -61.77 -42.87 99.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.781 0.676 . . . . 0.0 109.452 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.33 -47.05 85.95 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.56 -43.67 98.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.107 0.88 . . . . 0.0 110.517 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.07 93.17 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.45 0.469 . . . . 0.0 109.747 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.49 -42.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.857 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.38 -44.1 95.96 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 124.119 0.887 . . . . 0.0 109.771 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.373 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.892 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.86 -50.71 69.85 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.214 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' E' ' 37' ' ' LEU . 55.4 mt -65.81 -44.53 92.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.242 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.76 -43.7 94.17 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 39' ' ' LEU . 25.9 t80 -59.2 -44.2 92.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.803 0.689 . . . . 0.0 109.854 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -62.9 -50.84 69.28 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 33' ' ' ILE . 11.4 mt -58.88 -45.29 90.58 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 124.15 0.906 . . . . 0.0 109.272 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.52 -43.19 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.671 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.1 mt -62.62 -43.38 98.95 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.45 -44.46 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 77.8 m -57.37 -45.7 84.17 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.74 -37.83 88.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.096 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.12 -52.27 50.1 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.631 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.53 -38.95 47.42 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.769 0.713 . . . . 0.0 110.393 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.472 0.674 0 O-C-N 123.59 0.556 . . . . 0.0 110.143 177.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.24 -40.31 97.08 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.867 0.729 . . . . 0.0 109.389 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.95 -42.73 99.44 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.972 0.795 . . . . 0.0 109.431 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.62 -46.69 87.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -61.65 -43.59 98.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.224 0.953 . . . . 0.0 109.947 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.9 m -64.93 -40.18 94.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 124.166 0.916 . . . . 0.0 110.381 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.95 93.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.542 0.526 . . . . 0.0 109.842 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.75 -42.7 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 124.274 0.984 . . . . 0.0 108.818 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.3 ttp180 -60.58 -43.75 96.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.159 0.912 . . . . 0.0 109.708 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.343 0.324 0 O-C-N 123.892 0.745 . . . . 0.0 109.896 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -62.82 -50.38 71.2 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.899 0.749 . . . . 0.0 112.249 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 37' ' ' LEU . 52.1 mt -65.7 -44.39 93.36 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.317 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.0 -43.57 95.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' B' ' 39' ' ' LEU . 26.5 t80 -59.71 -44.25 93.79 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.712 0.633 . . . . 0.0 109.833 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -63.65 -50.35 69.63 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.726 0.641 . . . . 0.0 110.621 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' C' ' 33' ' ' ILE . 11.1 mt -57.78 -46.53 84.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -58.79 -43.42 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.536 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' B' ' 35' ' ' PHE . 22.7 mt -63.24 -42.49 99.23 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' B' ' 44' ' ' LEU . 19.5 mm -63.93 -43.25 97.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.2 m -57.7 -46.96 83.64 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.845 0.716 . . . . 0.0 109.331 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.87 -38.77 92.09 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.369 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.44 -27.91 60.81 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 124.026 0.829 . . . . 0.0 111.633 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' B' ' 40' ' ' ILE . 3.6 mt -67.89 -39.32 83.69 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.88 -42.65 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 C--N 1.35 0.59 0 O-C-N 123.699 0.624 . . . . 0.0 109.732 178.201 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -63.63 -39.99 95.76 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 124.017 0.823 . . . . 0.0 109.282 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.503 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.5 tm? -62.18 -41.88 98.75 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.977 0.798 . . . . 0.0 109.472 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.92 -47.42 83.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.05 -42.98 99.75 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.081 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -63.4 -42.18 98.77 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.36 1.038 . . . . 0.0 110.228 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.87 90.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.25 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.17 -42.85 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.443 HH21 ' NH2' ' C' ' 14' ' ' ARG . 49.3 ttp180 -60.63 -43.66 97.27 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 124.05 0.844 . . . . 0.0 109.599 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.443 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.344 0.36 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.971 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -62.91 -50.7 69.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 124.074 0.858 . . . . 0.0 112.036 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' B' ' 37' ' ' LEU . 54.0 mt -65.72 -44.52 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 119.221 -0.419 . . . . 0.0 110.147 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -59.8 -43.92 94.23 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.677 0.611 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' C' ' 39' ' ' LEU . 25.9 t80 -59.35 -43.7 92.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.006 0.816 . . . . 0.0 110.05 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.51 -50.82 68.13 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.027 0.829 . . . . 0.0 110.275 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' D' ' 33' ' ' ILE . 11.4 mt -58.45 -45.5 88.43 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.974 0.796 . . . . 0.0 110.141 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.1 -43.41 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.424 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' C' ' 35' ' ' PHE . 23.4 mt -62.03 -43.91 97.83 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.408 HD11 ' SG ' ' B' ' 41' ' ' CYS . 45.5 mt -66.94 -41.56 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.176 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.8 m -56.13 -43.87 78.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.5 mt -66.39 -35.6 80.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.036 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.41 -31.18 63.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.121 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.6 mp -66.64 -39.2 88.16 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.38 -42.91 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.45 -36.67 84.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.944 0.778 . . . . 0.0 109.775 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' C' ' 44' ' ' LEU . 40.4 mt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.31 -40.42 97.29 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.939 0.774 . . . . 0.0 109.672 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.467 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.84 -42.54 99.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.941 0.776 . . . . 0.0 109.495 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.35 -47.21 85.23 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.59 -43.56 98.63 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.967 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -64.78 -40.13 94.75 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 124.008 0.817 . . . . 0.0 110.561 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.92 93.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.82 -42.65 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.826 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.498 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.61 -43.87 96.95 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.153 0.908 . . . . 0.0 109.708 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.498 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.344 0.343 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.9 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -63.37 -50.98 67.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.929 0.768 . . . . 0.0 112.135 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' C' ' 37' ' ' LEU . 57.7 mt -65.3 -44.63 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.428 0.455 . . . . 0.0 110.091 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.74 -43.78 94.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' D' ' 39' ' ' LEU . 27.6 t80 -60.35 -44.12 95.83 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -38.87 89.05 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.488 0.493 . . . . 0.0 111.418 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' E' ' 33' ' ' ILE . 13.1 mt -67.16 -45.6 76.54 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.61 -41.6 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.955 1.41 . . . . 0.0 108.053 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' D' ' 35' ' ' PHE . 26.4 mt -63.1 -44.4 95.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.41 -44.08 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.4 m -55.97 -45.96 78.76 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.676 0.61 . . . . 0.0 110.092 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.0 mt -65.84 -34.86 79.12 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.83 -30.92 61.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.505 HD23 HD11 ' E' ' 47' ' ' ILE . 5.4 mp -65.71 -39.06 90.82 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.89 -43.22 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.56 -37.19 86.36 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.894 0.746 . . . . 0.0 110.001 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' D' ' 44' ' ' LEU . 48.2 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.0 -40.44 97.77 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.739 0.649 . . . . 0.0 109.517 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.492 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.6 tm? -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.896 0.747 . . . . 0.0 109.567 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -63.08 -46.61 86.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.76 -43.3 99.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.026 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -65.03 -40.09 94.34 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 124.046 0.842 . . . . 0.0 110.575 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.86 93.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.91 -42.73 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.787 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -60.49 -44.03 96.39 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.158 0.911 . . . . 0.0 109.774 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.815 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -62.98 -50.77 69.46 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.907 0.754 . . . . 0.0 112.144 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.8 mt -65.82 -44.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.086 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.39 -43.84 92.88 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' E' ' 39' ' ' LEU . 26.3 t80 -60.99 -44.57 97.19 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.837 0.711 . . . . 0.0 109.729 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -63.75 -40.14 95.98 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.491 179.088 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.565 ' CD1' HG23 ' A' ' 33' ' ' ILE . 6.6 mt -64.25 -70.98 0.19 Allowed 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 104.076 -2.564 . . . . 0.0 104.076 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -35.85 -42.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 125.119 1.512 . . . . 0.0 109.654 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' E' ' 35' ' ' PHE . 23.8 mt -63.35 -46.82 84.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.507 0.323 . . . . 0.0 110.819 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' E' ' 37' ' ' LEU . 7.5 mm -63.28 -43.42 98.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 61.1 m -56.56 -46.35 80.78 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 123.628 0.58 . . . . 0.0 109.689 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.71 -35.52 81.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.689 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.2 -52.15 44.68 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.636 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.2 mp -50.58 -38.93 48.14 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.457 0.571 . . . . 0.0 109.697 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.52 -44.57 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -65.69 -34.45 78.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.917 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' E' ' 44' ' ' LEU . 70.1 mt . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.73 -40.53 97.5 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.09 0.868 . . . . 0.0 109.793 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.66 -43.22 99.27 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.749 0.655 . . . . 0.0 109.508 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.27 -46.69 87.67 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.62 -42.62 99.14 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.098 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.091 0.869 . . . . 0.0 110.573 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.86 92.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.43 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.57 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.435 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -60.76 -40.98 94.51 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.249 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.544 0 O-C-N 123.925 0.766 . . . . 0.0 111.518 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -74.51 -57.54 3.87 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' E' ' 37' ' ' LEU . 63.2 mt -65.0 -45.85 93.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.48 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 HD21 ' N ' ' B' ' 33' ' ' ILE . 30.7 m120 -60.92 -41.44 96.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.717 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 50.1 t80 -57.77 -45.81 85.45 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -67.93 -38.85 83.4 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.947 0.779 . . . . 0.0 111.811 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.67 HD11 HG23 ' B' ' 33' ' ' ILE . 46.7 mt -67.49 -45.89 74.54 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.288 0.566 . . . . 0.0 109.905 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.14 -41.91 85.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.135 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 25.9 mt -61.66 -43.46 98.82 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 HD13 ' E' ' 44' ' ' LEU . 1.5 mm -65.51 -42.39 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 O-C-N 123.754 0.659 . . . . 0.0 109.692 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 70.8 m -57.36 -49.41 76.25 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.8 mt -63.18 -39.55 94.97 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 124.897 1.373 . . . . 0.0 110.756 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.4 tp -72.88 -25.68 61.17 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.859 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 40' ' ' ILE . 1.6 mt -74.48 -36.09 63.29 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 42' ' ' LEU . 55.5 mt -61.07 -40.72 86.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.089 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.0 -41.02 99.48 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 124.043 0.839 . . . . 0.0 109.846 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.467 HD13 ' C ' ' B' ' 7' ' ' LEU . 3.2 tm? -61.94 -43.27 99.19 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.89 0.744 . . . . 0.0 109.526 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.78 -45.62 91.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -62.56 -42.18 99.38 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.923 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -65.66 -38.41 89.23 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 124.141 0.901 . . . . 0.0 110.55 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.69 91.25 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.618 0.574 . . . . 0.0 109.601 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.37 -42.41 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.8 ttp180 -60.64 -40.96 93.89 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.137 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.556 0 O-C-N 123.944 0.777 . . . . 0.0 111.517 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -74.52 -56.8 4.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.67 HG23 HD11 ' A' ' 37' ' ' LEU . 59.7 mt -64.38 -46.34 93.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.95 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.457 HD21 ' N ' ' C' ' 33' ' ' ILE . 31.5 m120 -61.22 -40.9 95.73 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.463 0.574 . . . . 0.0 110.416 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 54.3 t80 -57.46 -45.34 84.88 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.69 0.619 . . . . 0.0 109.566 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -66.47 -51.04 61.03 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.014 0.821 . . . . 0.0 110.156 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' B' ' 33' ' ' ILE . 29.7 mt -56.77 -44.55 81.91 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.568 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.55 -42.51 91.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.979 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.0 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.2 mt -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 41' ' ' CYS . 1.8 mm -64.23 -42.87 96.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 79.3 m -59.0 -48.42 81.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 123.604 0.565 . . . . 0.0 109.65 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 45' ' ' ILE . 62.4 mt -63.35 -39.9 95.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.391 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.7 tp -72.87 -25.24 61.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.595 HD13 HG23 ' C' ' 40' ' ' ILE . 1.1 mt -73.89 -36.53 64.79 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.3 mt -61.62 -40.81 87.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.23 -40.35 97.21 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 109.725 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.462 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -61.92 -42.95 99.69 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -62.66 -46.57 87.58 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -61.88 -42.42 99.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.835 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -65.55 -38.86 90.82 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 124.143 0.902 . . . . 0.0 110.466 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.16 91.5 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.16 -42.47 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.489 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.446 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.6 ttp180 -60.77 -40.84 94.07 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.16 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.446 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 O-C-N 124.099 0.875 . . . . 0.0 111.527 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -74.37 -56.92 4.32 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' B' ' 37' ' ' LEU . 61.2 mt -64.34 -46.72 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.478 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.462 HD21 ' N ' ' D' ' 33' ' ' ILE . 29.7 m120 -60.49 -40.76 92.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.277 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 53.1 t80 -58.62 -44.91 90.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.82 -52.59 59.51 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.831 0.707 . . . . 0.0 110.031 178.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' D' ' 33' ' ' ILE . 28.0 mt -52.72 -74.63 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -32.85 -46.92 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.571 1.148 . . . . 0.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 22.1 mt -60.73 -47.59 85.6 Favored 'General case' 0 C--N 1.37 1.457 0 O-C-N 122.191 -0.318 . . . . 0.0 110.429 178.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.595 HG23 HD13 ' B' ' 44' ' ' LEU . 54.6 mt -64.65 -41.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 59.8 m -55.13 -48.21 73.97 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.4 mt -64.53 -37.89 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.189 -1.368 . . . . 0.0 110.814 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.4 tp -73.39 -28.01 61.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.684 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.53 HD12 HG22 ' C' ' 40' ' ' ILE . 0.7 OUTLIER -72.27 -37.12 69.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.297 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' C' ' 42' ' ' LEU . 58.8 mt -60.46 -41.19 86.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.66 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.56 -44.06 96.57 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.479 1.016 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.525 178.297 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -62.76 -40.59 97.74 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.878 0.736 . . . . 0.0 109.661 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.459 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -61.84 -43.14 99.44 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -62.83 -45.72 91.29 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.651 0.594 . . . . 0.0 109.407 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.08 -42.72 99.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.082 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -65.12 -39.06 92.57 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 124.15 0.906 . . . . 0.0 110.524 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -43.99 91.36 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.58 0.55 . . . . 0.0 109.705 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.34 -42.33 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.7 ttp180 -60.76 -41.02 94.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.295 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.545 0 O-C-N 124.049 0.843 . . . . 0.0 111.459 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--O 1.237 0.419 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -74.54 -58.84 3.03 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' C' ' 37' ' ' LEU . 63.6 mt -63.32 -46.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.39 -176.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.459 HD21 ' N ' ' E' ' 33' ' ' ILE . 31.5 m120 -61.02 -41.46 96.6 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.303 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 51.4 t80 -57.73 -45.41 85.83 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.616 0.572 . . . . 0.0 109.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -68.4 -39.1 81.77 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.144 0.903 . . . . 0.0 111.929 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 33' ' ' ILE . 42.5 mt -67.21 -44.64 79.05 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.52 -42.12 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 125.356 1.66 . . . . 0.0 108.73 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.4 mt -62.47 -44.14 97.11 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.543 1.152 . . . . 0.0 109.483 178.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.508 HD11 ' SG ' ' C' ' 41' ' ' CYS . 1.5 mm -64.47 -43.24 96.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.2 m -58.22 -49.01 78.57 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.759 0.662 . . . . 0.0 109.316 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' D' ' 45' ' ' ILE . 62.7 mt -62.63 -40.58 97.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.0 tp -64.29 -51.08 65.3 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.55 HD13 HG23 ' E' ' 40' ' ' ILE . 4.7 mt -53.02 -36.68 60.79 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 122.726 0.41 . . . . 0.0 110.384 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.6 mt -61.79 -42.22 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.54 -39.75 94.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.9 mt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.87 -41.34 99.35 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.698 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.466 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -61.8 -43.02 99.68 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.838 0.711 . . . . 0.0 109.736 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.88 -45.9 90.38 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -62.45 -42.13 99.24 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.014 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -65.3 -38.81 91.35 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.086 0.866 . . . . 0.0 110.515 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.03 91.82 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.25 -42.38 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.536 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -60.68 -40.88 93.81 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.229 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.485 0 O-C-N 123.937 0.773 . . . . 0.0 111.393 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -74.77 -57.23 4.04 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 37' ' ' LEU . 55.9 mt -64.26 -46.9 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.393 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 33' ' ' ILE . 31.7 m120 -60.76 -41.04 94.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.423 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 50.0 t80 -57.29 -44.95 84.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.552 0.533 . . . . 0.0 109.867 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.45 -50.75 64.2 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 123.643 0.589 . . . . 0.0 110.795 178.572 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' A' ' 33' ' ' ILE . 46.3 mt -58.26 -46.54 85.83 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.675 0.609 . . . . 0.0 109.674 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.87 -43.96 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 124.707 1.255 . . . . 0.0 109.584 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 23.2 mt -61.41 -44.36 97.28 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.57 0.544 . . . . 0.0 110.054 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' D' ' 44' ' ' LEU . 59.7 mt -67.06 -41.01 86.66 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 124.115 0.884 . . . . 0.0 110.182 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.2 m -55.81 -48.84 74.69 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.8 mt -63.31 -40.57 97.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.591 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.3 tp -64.08 -50.89 66.54 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.535 HD12 HG22 ' E' ' 40' ' ' ILE . 1.7 mt -55.53 -34.0 64.3 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.829 0.452 . . . . 0.0 110.4 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' E' ' 42' ' ' LEU . 52.5 mt -62.06 -41.93 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.11 -39.99 96.32 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' E' ' 44' ' ' LEU . 97.2 mt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.31 -40.36 97.12 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.951 0.782 . . . . 0.0 109.228 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.61 -41.95 98.19 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.968 0.792 . . . . 0.0 109.066 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -62.5 -46.27 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.53 -41.96 99.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.924 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -65.51 -38.66 90.34 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 124.06 0.85 . . . . 0.0 110.419 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.96 92.72 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.607 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 124.119 0.887 . . . . 0.0 108.655 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.02 -40.81 90.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.401 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.273 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.605 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp . . . . . 0 C--O 1.234 0.284 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.18 -50.51 63.63 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.52 -45.69 97.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 O-C-N 123.762 0.664 . . . . 0.0 110.039 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.96 -42.07 94.93 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.619 0.574 . . . . 0.0 110.34 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.9 t80 -56.01 -47.24 78.16 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.692 0.62 . . . . 0.0 110.991 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -49.7 69.02 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.75 -43.6 94.21 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.794 0.684 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.32 -43.11 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.289 0.993 . . . . 0.0 108.598 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.7 mt -62.03 -42.28 99.0 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 44' ' ' LEU . 23.8 mm -63.66 -42.47 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.227 -0.656 . . . . 0.0 109.227 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 58.4 m -57.15 -48.4 78.8 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.42 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.218 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.81 -28.51 58.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.841 0.457 . . . . 0.0 111.352 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.674 ' CD1' HD12 ' B' ' 40' ' ' ILE . 4.2 mt -68.35 -39.23 81.94 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.05 -42.71 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--N 1.348 0.54 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.616 178.087 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.34 -40.74 98.12 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 124.053 0.846 . . . . 0.0 109.292 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.57 -41.79 97.91 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.947 0.779 . . . . 0.0 109.155 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.7 m -62.34 -46.61 87.91 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.35 -42.17 99.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.12 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.35 -39.42 93.85 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.085 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.08 86.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.239 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.38 -44.89 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.78 0.675 . . . . 0.0 110.671 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.1 ptt180 -69.47 -27.56 65.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.1 tpp180 . . . . . 0 C--N 1.352 0.709 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 CA--C 1.524 -0.037 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.2 -50.61 63.26 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.913 0.758 . . . . 0.0 112.926 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.02 -46.27 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 123.81 0.694 . . . . 0.0 110.154 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -64.08 -42.32 97.0 Favored 'General case' 0 C--O 1.219 -0.526 0 O-C-N 123.922 0.764 . . . . 0.0 110.787 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 62.7 t80 -56.76 -46.58 81.35 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.539 0.525 . . . . 0.0 111.017 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.75 -52.22 58.2 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.928 0.767 . . . . 0.0 110.118 179.131 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.08 -43.59 87.12 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.675 0.609 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.64 -42.09 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 124.245 0.965 . . . . 0.0 108.662 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 34.1 mt -61.34 -41.64 97.38 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.806 HD11 ' SG ' ' A' ' 41' ' ' CYS . 11.1 mm -64.8 -43.48 96.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.44 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 84.3 m -56.21 -45.37 79.91 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.387 0.613 . . . . 0.0 109.985 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -65.75 -36.2 82.9 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.418 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.03 -30.36 61.05 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.126 0.891 . . . . 0.0 111.829 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG22 ' B' ' 40' ' ' ILE . 5.5 mp -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.01 -42.75 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--N 1.35 0.614 0 O-C-N 123.645 0.59 . . . . 0.0 109.942 177.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.23 -40.57 97.82 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 124.021 0.826 . . . . 0.0 109.228 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.424 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.62 -41.76 97.92 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m -62.35 -46.21 89.71 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.61 -41.96 99.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.091 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 70.1 m -65.56 -38.72 90.37 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.976 0.798 . . . . 0.0 110.272 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.6 92.61 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.21 -42.56 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.461 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.4 ttp180 -60.0 -40.9 90.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.487 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.461 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.256 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.673 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.6 tp . . . . . 0 CA--C 1.524 -0.056 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.59 -50.36 65.38 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.6 -45.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.16 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.34 -41.96 96.5 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 124.032 0.833 . . . . 0.0 110.309 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 59.1 t80 -56.83 -47.04 81.22 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.636 0.585 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -48.79 71.92 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.612 0.57 . . . . 0.0 110.3 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.34 -42.57 95.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.945 0.778 . . . . 0.0 110.583 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.89 -42.79 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.3 mt -63.18 -42.03 99.29 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 72.3 m -57.38 -45.51 84.39 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.69 -36.65 84.95 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 124.287 0.992 . . . . 0.0 110.043 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.03 -29.78 62.1 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.99 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.49 HD23 HD11 ' D' ' 47' ' ' ILE . 4.7 mp -67.38 -39.46 85.63 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.48 -42.77 97.38 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.65 -37.69 88.27 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.627 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' C' ' 44' ' ' LEU . 48.5 mt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -62.64 -40.38 96.82 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.369 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.57 -42.23 98.54 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -62.79 -46.18 89.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.45 -42.04 99.17 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.987 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -65.6 -38.75 90.37 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 124.166 0.916 . . . . 0.0 110.178 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.77 93.83 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.25 -42.57 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.0 -40.84 90.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.417 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.632 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.04 -50.72 63.22 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.27 -45.84 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.176 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.91 -41.6 95.44 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 123.78 0.675 . . . . 0.0 110.17 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 58.4 t80 -56.82 -46.74 81.46 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.829 0.705 . . . . 0.0 111.177 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -50.01 67.33 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 123.515 0.509 . . . . 0.0 110.076 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 67.5 mt -59.4 -41.7 90.05 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.424 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.64 -42.05 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 29.7 mt -62.66 -41.96 99.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.439 HD12 HD13 ' C' ' 44' ' ' LEU . 26.1 mm -63.37 -43.47 98.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 76.3 m -59.1 -44.93 91.98 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.7 -38.92 92.63 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.469 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.95 -51.63 56.77 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.308 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mp -52.01 -38.56 57.26 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.259 0.936 . . . . 0.0 110.523 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.53 -43.75 98.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -65.54 -34.78 79.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.003 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' D' ' 44' ' ' LEU . 69.0 mt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -63.25 -40.42 97.38 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.213 0.946 . . . . 0.0 109.173 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.456 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.45 -42.0 98.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.887 0.742 . . . . 0.0 109.165 179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -62.58 -46.23 89.29 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.59 -41.97 99.29 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.249 0.968 . . . . 0.0 109.91 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -65.78 -38.52 89.24 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.067 0.855 . . . . 0.0 110.231 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.77 92.9 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -42.75 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.187 0.929 . . . . 0.0 108.604 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -59.9 -40.97 90.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.417 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.604 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.12 -50.53 63.68 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.37 -45.8 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.77 -42.06 97.87 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.764 0.665 . . . . 0.0 110.248 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 64.9 t80 -57.55 -47.19 82.71 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.573 0.546 . . . . 0.0 110.504 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -63.76 -53.02 57.6 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' E' ' 40' ' ' ILE . 69.2 mt -52.41 -72.02 0.06 Allowed 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.6 mt -34.42 -43.95 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.78 0 O-C-N 124.614 1.196 . . . . 0.0 110.701 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 30.4 mt -63.6 -44.71 93.19 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 177.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' D' ' 41' ' ' CYS . 24.9 mm -63.03 -43.07 98.83 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 m -57.59 -45.56 85.12 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.68 -36.78 85.39 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 124.723 1.264 . . . . 0.0 109.431 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.2 -52.34 48.93 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.072 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.5 mp -50.82 -38.83 51.03 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.679 0.672 . . . . 0.0 109.899 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.09 -44.03 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.3 -34.96 79.57 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 123.433 0.458 . . . . 0.0 110.097 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' E' ' 44' ' ' LEU . 69.3 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.83 -40.38 92.58 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.95 -43.13 99.49 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.964 0.79 . . . . 0.0 108.924 179.005 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -62.79 -46.13 89.42 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.377 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.8 -41.28 99.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.201 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -63.58 -40.4 96.86 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.811 0.694 . . . . 0.0 110.262 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.32 93.76 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.784 0.678 . . . . 0.0 109.594 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.82 -42.64 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 124.08 0.863 . . . . 0.0 109.018 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -60.06 -43.01 95.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.358 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.501 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.21 -47.72 81.32 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.903 0.752 . . . . 0.0 112.379 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' N ' HD21 ' E' ' 34' ' ' ASN . 70.4 mt -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.496 HD21 ' N ' ' B' ' 33' ' ' ILE . 11.9 m120 -63.42 -44.62 94.08 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.796 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 37.7 t80 -60.82 -45.61 93.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.009 0.818 . . . . 0.0 110.652 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -58.95 -53.99 52.15 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' ILE . 44.0 mt -52.31 -73.35 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -32.05 -43.72 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 29.6 mt -62.17 -44.35 96.8 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 122.092 -0.38 . . . . 0.0 110.483 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.772 HD11 ' SG ' ' E' ' 41' ' ' CYS . 6.1 mm -63.05 -41.77 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 23.8 m -55.81 -49.57 72.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.11 -38.8 92.36 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.757 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.64 -26.28 57.61 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.631 0.582 . . . . 0.0 112.129 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.624 ' CD1' HD12 ' B' ' 40' ' ' ILE . 7.6 mt -70.69 -37.39 73.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.77 -42.07 94.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 CA--C 1.542 0.672 0 O-C-N 123.748 0.655 . . . . 0.0 109.57 177.823 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.11 -40.41 93.66 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.15 -43.16 99.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.79 -46.06 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.272 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.77 -41.6 99.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.086 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -63.51 -40.41 96.98 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.065 0.853 . . . . 0.0 110.261 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.38 94.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.95 -42.59 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.91 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.492 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.18 -42.89 95.95 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.767 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.492 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 O-C-N 123.867 0.729 . . . . 0.0 109.699 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.94 -48.6 78.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.029 0.831 . . . . 0.0 112.155 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.496 ' N ' HD21 ' A' ' 34' ' ' ASN . 77.9 mt -63.45 -45.42 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.629 0.581 . . . . 0.0 109.571 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.477 HD21 ' N ' ' C' ' 33' ' ' ILE . 11.3 m120 -62.89 -44.95 94.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.742 0.651 . . . . 0.0 110.144 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' B' ' 39' ' ' LEU . 36.4 t80 -61.66 -47.19 86.47 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.981 0.8 . . . . 0.0 110.553 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -61.66 -37.95 85.94 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 40' ' ' ILE . 33.3 mt -65.96 -72.07 0.17 Allowed 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 175.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -31.92 -41.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 125.078 1.486 . . . . 0.0 110.88 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -62.18 -44.89 95.58 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.574 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.763 HD11 ' SG ' ' A' ' 41' ' ' CYS . 3.0 mm -63.54 -41.66 93.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 123.461 0.704 . . . . 0.0 109.127 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 21.9 m -55.18 -49.67 71.31 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.5 -40.42 97.04 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.472 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 43' ' ' LEU . 12.7 tp -73.86 -26.79 60.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.146 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' C' ' 40' ' ' ILE . 8.8 mt -71.15 -37.86 72.22 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -41.84 94.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.541 0.616 0 O-C-N 123.791 0.682 . . . . 0.0 109.673 177.644 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.32 -40.42 94.16 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.418 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.23 -43.03 99.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -62.66 -46.24 89.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.59 -41.66 99.1 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.27 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -63.36 -40.43 97.24 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.148 0.905 . . . . 0.0 110.333 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.49 93.45 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.705 0.628 . . . . 0.0 109.834 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.82 -42.69 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.958 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.496 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -59.84 -42.81 94.42 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . 0.496 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.647 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -62.63 -48.02 81.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.954 0.784 . . . . 0.0 112.537 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.477 ' N ' HD21 ' B' ' 34' ' ' ASN . 78.3 mt -63.65 -45.27 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.495 HD21 ' N ' ' D' ' 33' ' ' ILE . 10.9 m120 -63.29 -44.28 95.49 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.798 0.686 . . . . 0.0 110.026 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' C' ' 39' ' ' LEU . 37.2 t80 -61.05 -46.2 91.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.79 0.681 . . . . 0.0 110.863 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -59.29 -53.43 58.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.427 ' HB3' ' SG ' ' D' ' 36' ' ' CYS . 44.0 mt -52.37 -73.21 0.04 OUTLIER 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -33.33 -44.01 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.837 0 O-C-N 124.077 0.861 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.4 mt -61.3 -44.2 97.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.81 HD11 ' SG ' ' B' ' 41' ' ' CYS . 4.8 mm -62.99 -42.03 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.0 m -55.92 -48.48 75.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -64.03 -39.9 95.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.838 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.98 -26.72 59.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.908 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' D' ' 40' ' ' ILE . 9.6 mt -70.21 -38.43 75.28 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.05 -41.75 94.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.37 -38.48 89.72 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' C' ' 44' ' ' LEU . 58.9 mt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.23 -40.4 93.88 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -62.08 -43.15 99.45 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.71 -46.03 90.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.174 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -62.95 -41.2 99.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.172 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -63.88 -40.35 96.34 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.003 0.814 . . . . 0.0 110.391 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.35 93.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.51 0.506 . . . . 0.0 109.674 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.75 -42.68 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.979 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.08 -42.87 95.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.751 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.418 0 O-C-N 123.98 0.8 . . . . 0.0 109.641 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.89 -48.47 78.84 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.963 0.789 . . . . 0.0 111.93 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.495 ' N ' HD21 ' C' ' 34' ' ' ASN . 75.6 mt -63.43 -46.52 95.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 O-C-N 123.76 0.662 . . . . 0.0 109.382 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.437 HD21 ' N ' ' E' ' 33' ' ' ILE . 9.5 m120 -61.99 -44.16 97.33 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 124.201 0.938 . . . . 0.0 110.043 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' D' ' 39' ' ' LEU . 35.2 t80 -60.73 -45.32 94.73 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.78 0.675 . . . . 0.0 110.612 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -59.73 -54.17 49.42 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' E' ' 33' ' ' ILE . 16.9 mt -51.31 -72.82 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.24 -43.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 125.2 1.563 . . . . 0.0 110.933 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' D' ' 35' ' ' PHE . 31.3 mt -62.42 -44.52 96.24 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 177.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.8 HD11 ' SG ' ' C' ' 41' ' ' CYS . 4.6 mm -63.5 -41.03 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 33.5 m -57.93 -47.1 83.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.803 0.689 . . . . 0.0 109.48 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.29 -41.35 96.92 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.335 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' D' ' 43' ' ' LEU . 7.5 tp -65.23 -51.01 63.63 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.63 0.581 . . . . 0.0 109.454 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' E' ' 40' ' ' ILE . 10.0 mt -51.46 -37.69 50.09 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.045 0.538 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.57 -42.74 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.26 -37.67 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' D' ' 44' ' ' LEU . 84.5 mt . . . . . 0 C--N 1.357 0.914 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.01 -40.34 93.19 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.417 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.05 -43.21 99.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 m -62.84 -45.97 90.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.334 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.86 -41.31 99.33 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.182 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -63.71 -40.32 96.48 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.994 0.809 . . . . 0.0 110.22 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.23 94.56 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.95 -42.73 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.016 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.17 -42.85 95.84 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.714 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.701 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -62.35 -49.29 76.17 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.958 0.786 . . . . 0.0 112.289 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' D' ' 37' ' ' LEU . 76.8 mt -64.07 -44.74 97.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 123.465 0.478 . . . . 0.0 109.981 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.47 HD21 ' N ' ' A' ' 33' ' ' ILE . 10.3 m120 -61.63 -44.64 96.61 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.874 0.734 . . . . 0.0 109.465 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.1 t80 -60.6 -45.25 94.69 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.81 0.694 . . . . 0.0 110.804 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -59.81 -55.19 37.26 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 121.27 0.557 . . . . 0.0 109.843 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -56.89 -44.33 82.18 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.2 0.6 . . . . 0.0 110.458 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -58.73 -40.83 80.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.142 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' E' ' 35' ' ' PHE . 30.2 mt -63.86 -40.5 96.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.794 HD11 ' SG ' ' D' ' 41' ' ' CYS . 5.0 mm -64.39 -42.29 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 57.9 m -57.68 -47.51 82.11 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.37 -43.64 97.03 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.149 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.2 tp -66.46 -50.18 64.19 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.618 ' CD1' HD12 ' A' ' 40' ' ' ILE . 12.4 mt -50.54 -37.17 37.89 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 118.198 0.454 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.31 -43.31 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.25 -35.56 81.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.587 0.554 . . . . 0.0 109.634 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.7 mt . . . . . 0 C--N 1.36 1.041 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.37 -41.18 96.66 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 124.02 0.825 . . . . 0.0 109.451 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.3 tm? -61.33 -45.37 94.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.37 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.77 -46.61 87.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.786 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.42 -46.02 91.86 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -62.78 -41.1 99.09 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.221 0.95 . . . . 0.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.17 76.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.822 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.61 -42.83 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.147 0.904 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.61 -45.78 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.488 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 . . . . . 0 CA--C 1.539 0.528 0 O-C-N 123.734 0.646 . . . . 0.0 110.04 178.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -78.77 -60.27 2.45 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.634 HG23 HD11 ' E' ' 37' ' ' LEU . 56.0 mt -62.7 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.522 -175.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.456 HD21 ' N ' ' B' ' 33' ' ' ILE . 32.6 m120 -61.33 -40.37 93.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.272 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 64.8 t80 -56.86 -44.36 82.12 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.202 0.939 . . . . 0.0 109.642 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -67.45 -50.95 56.95 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.379 1.049 . . . . 0.0 110.749 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.624 HD11 HG23 ' B' ' 33' ' ' ILE . 52.7 mt -56.36 -45.09 80.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.445 0.465 . . . . 0.0 110.455 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.1 -44.44 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 126.161 2.163 . . . . 0.0 108.289 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 31.8 mt -63.03 -43.1 99.61 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 178.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' SG ' ' E' ' 41' ' ' CYS . 1.7 mm -63.18 -42.85 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 71.3 m -57.47 -47.94 80.52 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.605 0.565 . . . . 0.0 109.489 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 45' ' ' ILE . 55.8 mt -63.0 -39.78 95.8 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.658 1.224 . . . . 0.0 110.874 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' E' ' 44' ' ' LEU . 15.2 tp -75.33 -24.88 57.43 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.586 0.554 . . . . 0.0 111.513 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' B' ' 43' ' ' LEU . 6.1 mt -72.21 -34.78 68.61 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 42' ' ' LEU . 61.5 mt -62.45 -41.38 91.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -61.18 -41.12 96.23 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.881 0.738 . . . . 0.0 109.538 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.446 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.3 tm? -61.76 -44.56 96.65 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.65 -46.33 88.72 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.805 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -63.01 -43.36 98.99 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.502 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -64.43 -36.79 85.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.952 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.5 57.5 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.95 -45.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.089 0.868 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -60.93 -42.17 97.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.253 0.345 . . . . 0.0 110.537 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 . . . . . 0 CA--C 1.537 0.471 0 O-C-N 123.63 0.581 . . . . 0.0 109.632 178.333 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.86 -60.01 2.51 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' LEU . 53.6 mt -62.34 -46.74 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.12 -175.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.42 HD21 ' N ' ' C' ' 33' ' ' ILE . 32.9 m120 -61.31 -40.27 93.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.107 -178.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 67.1 t80 -56.87 -44.41 82.2 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.979 0.8 . . . . 0.0 109.663 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -67.77 -51.63 46.76 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.483 178.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD1' HG23 ' C' ' 33' ' ' ILE . 46.0 mt -55.88 -43.18 76.95 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -42.46 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.113 1.508 . . . . 0.0 108.574 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 33.0 mt -62.99 -43.71 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 123.62 0.575 . . . . 0.0 109.875 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.536 HD11 ' SG ' ' A' ' 41' ' ' CYS . 2.1 mm -62.59 -43.45 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.7 m -57.54 -48.69 78.62 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' B' ' 45' ' ' ILE . 57.9 mt -62.5 -41.75 99.03 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 124.64 1.212 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.4 tp -65.95 -49.79 66.65 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.484 HD13 HG23 ' C' ' 40' ' ' ILE . 4.4 mt -51.99 -34.33 42.13 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.012 0.369 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' B' ' 42' ' ' LEU . 60.1 mt -62.88 -42.56 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.36 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.33 -40.25 89.96 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 124.185 0.928 . . . . 0.0 109.996 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.43 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.2 tm? -62.17 -45.91 91.3 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.718 0.637 . . . . 0.0 109.316 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -63.16 -46.98 84.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -61.54 -44.69 96.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.464 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t -62.38 -42.84 99.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.127 0.892 . . . . 0.0 110.638 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.85 78.03 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.96 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.75 -42.95 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.042 0.839 . . . . 0.0 110.111 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -55.85 -43.85 77.47 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.257 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.283 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -80.04 -59.44 2.72 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' B' ' 37' ' ' LEU . 52.5 mt -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 118.82 -0.61 . . . . 0.0 112.299 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.444 HD21 ' N ' ' D' ' 33' ' ' ILE . 32.6 m120 -60.88 -40.36 92.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.992 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 71.8 t80 -57.57 -44.14 85.09 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.705 0.628 . . . . 0.0 109.393 177.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -65.05 -57.35 8.89 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 123.664 0.602 . . . . 0.0 109.813 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' D' ' 33' ' ' ILE . 37.9 mt -46.55 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -32.76 -46.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 124.962 1.414 . . . . 0.0 110.456 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.2 mt -63.87 -44.72 92.23 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 120.536 0.207 . . . . 0.0 111.384 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.529 HD11 ' SG ' ' B' ' 41' ' ' CYS . 2.6 mm -61.08 -43.27 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.1 m -56.8 -47.84 79.31 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.018 0.824 . . . . 0.0 109.309 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.9 mt -64.57 -37.68 88.39 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.13 -26.64 56.55 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.415 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.697 ' CD1' HD12 ' D' ' 40' ' ' ILE . 6.4 mt -69.75 -36.18 75.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' C' ' 42' ' ' LEU . 65.3 mt -61.78 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.7 -41.07 97.11 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.358 0.973 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.649 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.24 -41.19 96.45 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.787 0.679 . . . . 0.0 109.743 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.3 tm? -61.42 -45.28 94.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.7 0.625 . . . . 0.0 109.319 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.82 -46.7 86.74 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -61.35 -45.92 92.38 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.357 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -62.7 -41.08 98.94 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.148 0.905 . . . . 0.0 111.182 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.78 77.95 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.789 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.77 -42.75 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 124.111 0.882 . . . . 0.0 110.139 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.6 -45.92 77.37 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.254 0.971 . . . . 0.0 110.529 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 . . . . . 0 CA--C 1.536 0.43 0 O-C-N 123.666 0.604 . . . . 0.0 110.205 178.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -80.23 -59.86 2.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' C' ' 37' ' ' LEU . 57.0 mt -62.66 -46.22 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.292 -175.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.445 HD21 ' N ' ' E' ' 33' ' ' ILE . 33.2 m120 -61.21 -41.1 96.24 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.555 0.616 . . . . 0.0 110.24 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.73 -43.84 81.06 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.829 0.705 . . . . 0.0 109.617 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -67.0 -53.23 33.44 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.634 0.584 . . . . 0.0 110.587 178.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.545 HD11 HG23 ' E' ' 33' ' ' ILE . 40.6 mt -55.26 -46.04 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.53 -42.96 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 125.27 1.607 . . . . 0.0 108.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.02 -42.5 99.82 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 123.549 0.531 . . . . 0.0 110.007 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' C' ' 41' ' ' CYS . 28.0 mm -64.68 -42.57 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 77.8 m -56.51 -47.85 78.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 45' ' ' ILE . 58.9 mt -63.69 -40.05 95.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.426 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' C' ' 44' ' ' LEU . 15.7 tp -75.8 -25.36 56.3 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.492 0.495 . . . . 0.0 111.467 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.501 ' CD1' HG23 ' E' ' 40' ' ' ILE . 5.4 mt -71.61 -34.65 70.04 Favored 'General case' 0 C--N 1.347 0.492 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' D' ' 42' ' ' LEU . 61.7 mt -62.01 -41.13 89.84 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.75 -41.11 99.04 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.28 -41.31 96.73 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.094 0.872 . . . . 0.0 109.616 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.441 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.3 tm? -61.58 -45.26 94.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.92 -46.51 87.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.729 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.74 -45.34 94.33 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.346 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -63.05 -41.22 99.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 124.212 0.945 . . . . 0.0 111.069 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.87 77.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.745 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.78 -42.75 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.141 0.901 . . . . 0.0 109.934 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -55.46 -44.01 76.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.183 0.927 . . . . 0.0 110.026 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.466 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.54 -59.31 2.8 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' D' ' 37' ' ' LEU . 58.9 mt -64.11 -45.38 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.839 -175.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 33' ' ' ILE . 32.7 m120 -61.02 -40.52 93.89 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.664 0.665 . . . . 0.0 109.885 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 70.7 t80 -57.97 -44.27 86.97 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.869 0.731 . . . . 0.0 109.247 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.86 -55.33 17.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 118.177 -0.915 . . . . 0.0 109.713 178.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 33' ' ' ILE . 36.9 mt -47.75 -73.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -32.97 -46.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 125.637 1.836 . . . . 0.0 110.116 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.1 mt -64.38 -44.29 91.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 122.438 -0.164 . . . . 0.0 110.849 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.544 HD11 ' SG ' ' D' ' 41' ' ' CYS . 2.0 mm -61.66 -43.65 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 50.1 m -57.04 -46.95 82.03 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 123.617 0.573 . . . . 0.0 109.544 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' E' ' 45' ' ' ILE . 53.2 mt -64.15 -39.1 93.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.323 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' D' ' 44' ' ' LEU . 14.9 tp -74.64 -25.03 58.94 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.525 0.516 . . . . 0.0 111.456 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.444 ' CD1' HD13 ' A' ' 40' ' ' ILE . 4.2 mt -72.05 -34.76 69.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' E' ' 42' ' ' LEU . 64.1 mt -62.19 -41.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.45 -40.68 97.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.599 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -34.71 76.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.38 -42.45 96.15 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.26 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.29 -45.23 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 123.949 0.78 . . . . 0.0 108.898 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -59.67 -47.65 84.8 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.816 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.85 -40.74 98.4 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.784 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.469 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.86 -43.11 99.5 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.086 0.866 . . . . 0.0 109.587 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -62.42 -45.57 92.48 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.39 -42.96 99.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.027 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -64.59 -40.07 94.86 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.101 0.875 . . . . 0.0 110.713 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.5 93.87 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.89 -42.78 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 124.149 0.906 . . . . 0.0 108.896 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -59.34 -42.1 90.73 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.541 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -69.47 -40.96 76.81 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.191 178.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.4 134.43 54.56 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.851 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -133.45 126.74 31.83 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.59 139.7 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 123.573 0.546 . . . . 0.0 111.263 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -140.64 167.85 21.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.047 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.551 ' H ' HD22 ' A' ' 27' ' ' ASN . 13.9 mtt -57.58 139.76 80.93 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.665 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.56 -62.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.11 0 C-N-CA 122.265 1.977 . . . . 0.0 112.61 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.68 -40.66 92.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.465 HE22 ' N ' ' B' ' 24' ' ' ALA . 78.0 mt-30 -99.56 43.79 1.05 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' N ' HE22 ' E' ' 23' ' ' GLN . . . -65.36 -63.24 1.15 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.48 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' E' ' 27' ' ' ASN . 0.0 OUTLIER -62.71 -16.15 56.06 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.592 0.558 . . . . 0.0 111.46 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.23 -48.62 41.43 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.551 HD22 ' H ' ' A' ' 20' ' ' MET . 7.7 t-20 -62.98 -39.32 94.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 113.856 -1.52 . . . . 0.0 110.041 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 28' ' ' LEU . 3.5 mm? -64.86 -36.8 85.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.534 ' HG2' HD12 ' A' ' 33' ' ' ILE . 35.2 tt0 -66.59 -39.68 88.54 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.67 -43.62 98.33 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.98 -39.71 93.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.456 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -82.85 -58.72 2.76 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 29' ' ' GLN . 58.7 mt -61.92 -47.1 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 118.923 -0.56 . . . . 0.0 112.503 -175.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.478 HD21 ' N ' ' B' ' 33' ' ' ILE . 32.8 m120 -62.76 -41.41 99.21 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.306 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.0 t80 -57.01 -45.72 82.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 123.289 0.368 . . . . 0.0 110.053 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -51.41 61.55 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.407 1.067 . . . . 0.0 110.182 179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' B' ' 33' ' ' ILE . 71.3 mt -58.64 -44.83 90.17 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 123.606 0.566 . . . . 0.0 111.16 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.28 -42.58 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.464 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.0 mt -63.27 -42.73 99.17 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG23 HD13 ' E' ' 44' ' ' LEU . 1.2 mm -63.87 -43.99 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 123.681 0.613 . . . . 0.0 109.533 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.7 m -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.6 mt -63.47 -39.06 93.45 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.549 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' LEU . 13.9 tp -73.31 -25.99 60.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.243 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' CD1' HD13 ' B' ' 40' ' ' ILE . 1.8 mt -73.56 -36.68 65.64 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 42' ' ' LEU . 58.5 mt -61.55 -41.14 89.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.52 -42.25 98.54 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.515 HG13 HD11 ' E' ' 48' ' ' ILE . 82.6 mt -64.47 -43.63 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.529 HD11 HG13 ' B' ' 47' ' ' ILE . 1.9 mm -62.27 -45.65 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 124.051 0.844 . . . . 0.0 110.739 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -62.67 -46.95 95.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.804 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HB3' HD21 ' E' ' 51' ' ' LEU . 82.3 mmm -62.64 -50.43 71.25 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.079 0.862 . . . . 0.0 109.202 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' B' ' 50' ' ' MET . 9.0 tt -55.36 -41.65 72.86 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.014 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.549 0.909 0 CA-C-O 117.682 -1.151 . . . . 0.0 109.797 178.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.83 -34.45 75.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.19 -42.53 96.61 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.328 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.3 -45.44 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 124.004 0.815 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -59.34 -47.96 83.42 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 124.235 0.96 . . . . 0.0 109.743 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.85 -40.71 98.29 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.047 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.446 HD13 ' C ' ' B' ' 7' ' ' LEU . 3.2 tm? -62.03 -43.29 99.16 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 124.287 0.992 . . . . 0.0 109.552 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.16 -45.33 93.89 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.52 -42.99 99.88 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.172 0.92 . . . . 0.0 109.864 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.7 m -64.58 -40.16 95.04 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.062 0.851 . . . . 0.0 110.609 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.49 94.48 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.871 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.91 -42.69 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.859 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.0 ttp180 -59.4 -42.2 91.19 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.36 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -69.45 -41.07 76.73 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.904 0.753 . . . . 0.0 110.197 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.45 134.55 54.75 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.01 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.25 126.71 32.1 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.62 139.52 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.195 0.522 . . . . 0.0 111.151 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -140.74 168.0 20.83 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.559 ' H ' HD22 ' B' ' 27' ' ' ASN . 15.4 mtt -57.44 139.49 80.57 Favored Pre-proline 0 N--CA 1.482 1.15 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.695 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.95 -63.82 0.04 OUTLIER 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.17 1.913 . . . . 0.0 112.427 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.25 -40.18 93.67 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.681 0.613 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.487 HE22 ' N ' ' C' ' 24' ' ' ALA . 79.3 mt-30 -99.32 42.52 1.1 Allowed 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.263 0.977 . . . . 0.0 109.622 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.465 ' N ' HE22 ' A' ' 23' ' ' GLN . . . -64.31 -62.7 1.44 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.527 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -63.05 -15.52 56.81 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.256 0.347 . . . . 0.0 111.434 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.64 -46.77 44.7 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.559 HD22 ' H ' ' B' ' 20' ' ' MET . 7.5 t-20 -64.09 -39.49 94.16 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.106 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' B' ' 28' ' ' LEU . 3.5 mm? -64.8 -37.82 88.89 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.577 ' HG2' HD12 ' B' ' 33' ' ' ILE . 40.2 tt0 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.53 -43.46 98.76 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.75 -41.34 99.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.431 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -80.94 -59.42 2.68 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.577 HD12 ' HG2' ' B' ' 29' ' ' GLN . 61.9 mt -62.07 -48.08 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.41 HD21 ' N ' ' C' ' 33' ' ' ILE . 33.6 m120 -61.97 -40.87 97.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.291 0.496 . . . . 0.0 110.623 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 56.1 t80 -57.65 -46.58 84.03 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 123.724 0.64 . . . . 0.0 109.797 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.03 -37.21 81.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.944 0.777 . . . . 0.0 112.307 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 39.9 mt -67.79 -46.6 71.5 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.669 0.747 . . . . 0.0 109.727 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.32 -42.19 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.824 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.3 mt -62.1 -42.85 99.63 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.53 0.518 . . . . 0.0 110.052 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 44' ' ' LEU . 1.1 mm -64.79 -43.29 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 80.0 m -58.01 -48.66 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.939 0.774 . . . . 0.0 109.795 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.0 mt -63.31 -39.98 96.07 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.465 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.4 tp -72.84 -25.05 60.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.21 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.618 HD13 HG23 ' C' ' 40' ' ' ILE . 1.6 mt -74.14 -36.06 64.13 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.8 mt -62.54 -41.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.529 HG13 HD11 ' A' ' 48' ' ' ILE . 76.1 mt -63.86 -43.38 97.8 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.719 0.637 . . . . 0.0 109.401 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.492 HD11 HG13 ' C' ' 47' ' ' ILE . 1.8 mm -61.56 -44.99 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 111.263 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.93 -44.18 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.559 ' HB3' HD21 ' A' ' 51' ' ' LEU . 94.3 mmm -71.14 -27.56 63.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.726 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -42.69 75.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.423 179.263 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -61.66 -34.11 75.13 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.63 -42.32 95.57 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.302 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.99 -44.07 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.31 -47.47 85.9 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.258 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -63.78 -40.23 96.18 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.811 0.694 . . . . 0.0 109.743 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.46 -42.13 99.26 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.165 0.916 . . . . 0.0 109.574 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.93 -46.29 88.49 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.77 -42.3 99.62 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 124.263 0.977 . . . . 0.0 109.91 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.019 0.928 . . . . 0.0 110.421 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.4 90.87 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.101 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -42.85 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.157 0.911 . . . . 0.0 109.041 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.462 HH21 HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -59.58 -41.71 90.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.397 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.462 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER -69.29 -40.96 77.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.306 178.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 134.26 54.3 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.8 t -133.95 126.71 30.92 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.59 139.49 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.401 0.619 . . . . 0.0 111.29 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -140.37 167.81 21.27 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.085 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.57 ' H ' HD22 ' C' ' 27' ' ' ASN . 16.3 mtt -57.54 139.28 81.23 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.421 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.39 -62.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.323 2.015 . . . . 0.0 112.469 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.15 -40.61 94.62 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.627 0.579 . . . . 0.0 110.292 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.469 HE22 ' N ' ' D' ' 24' ' ' ALA . 77.2 mt-30 -99.87 43.42 1.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.846 1.341 . . . . 0.0 110.073 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.487 ' N ' HE22 ' B' ' 23' ' ' GLN . . . -65.91 -62.84 1.27 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.495 ' HE ' ' HA ' ' B' ' 27' ' ' ASN . 0.0 OUTLIER -62.72 -15.44 52.9 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 123.724 0.64 . . . . 0.0 111.616 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.71 -47.41 31.6 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.57 HD22 ' H ' ' C' ' 20' ' ' MET . 7.5 t-20 -62.37 -38.84 91.14 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 124.919 1.387 . . . . 0.0 110.655 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' C' ' 28' ' ' LEU . 3.5 mm? -64.47 -37.47 87.65 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.33 -39.38 89.19 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.66 -44.01 97.36 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.8 -39.66 92.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.165 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -82.04 -59.23 2.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 57.3 mt -62.49 -46.78 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.462 HD21 ' N ' ' D' ' 33' ' ' ILE . 32.3 m120 -60.91 -41.46 96.15 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.987 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 57.6 t80 -58.75 -45.53 89.5 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 123.437 0.461 . . . . 0.0 109.842 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.855 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.81 -53.29 56.49 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.318 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.443 HD11 HG23 ' D' ' 33' ' ' ILE . 61.7 mt -53.3 -74.47 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -32.73 -45.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 124.746 1.279 . . . . 0.0 111.666 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 24.9 mt -61.95 -47.11 86.36 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.618 HG23 HD13 ' B' ' 44' ' ' LEU . 49.4 mt -64.31 -41.93 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.122 0.889 . . . . 0.0 109.699 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 57.8 m -55.43 -47.95 75.18 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' C' ' 45' ' ' ILE . 50.3 mt -64.08 -37.81 88.78 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.546 1.154 . . . . 0.0 110.742 177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.0 tp -73.59 -26.86 61.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.531 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.612 ' CD1' HD13 ' D' ' 40' ' ' ILE . 1.0 OUTLIER -71.72 -38.01 70.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' C' ' 42' ' ' LEU . 63.4 mt -61.4 -41.12 88.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.94 -42.92 99.15 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.705 0.628 . . . . 0.0 109.409 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.492 HG13 HD11 ' B' ' 48' ' ' ILE . 96.6 mt -65.85 -41.95 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.537 HD11 HG13 ' D' ' 47' ' ' ILE . 1.8 mm -61.25 -45.38 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.636 0.774 . . . . 0.0 110.282 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.32 -45.69 95.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -67.07 -29.31 69.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.049 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' D' ' 50' ' ' MET . 8.9 tt -73.77 -41.61 62.22 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 CA--C 1.541 0.634 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.747 178.618 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.85 -34.48 76.05 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.16 -42.45 96.74 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.334 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.85 -44.73 96.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 O-C-N 124.031 0.832 . . . . 0.0 108.858 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.68 -47.95 83.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.585 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.03 -40.49 97.9 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 123.927 0.767 . . . . 0.0 109.778 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.436 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.2 tm? -62.09 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.765 0.665 . . . . 0.0 109.473 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -61.87 -45.66 92.79 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.42 -43.06 99.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.961 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.38 -40.21 95.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.077 0.861 . . . . 0.0 110.727 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.3 93.77 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.729 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.95 -42.74 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.845 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.452 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -59.16 -42.08 89.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.596 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.452 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -69.62 -41.01 76.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.242 178.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 134.38 54.38 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.24 126.58 31.85 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.35 139.41 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 123.557 0.535 . . . . 0.0 111.279 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -140.46 167.72 21.49 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.124 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.535 ' H ' HD22 ' D' ' 27' ' ' ASN . 15.6 mtt -57.24 139.41 79.78 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 119.149 -0.453 . . . . 0.0 110.618 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.55 -62.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.167 0 C-N-CA 122.094 1.862 . . . . 0.0 112.623 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.49 -40.77 93.49 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.944 0.778 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . 0.48 HE22 ' N ' ' E' ' 24' ' ' ALA . 78.0 mt-30 -99.16 42.72 1.09 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.469 ' N ' HE22 ' C' ' 23' ' ' GLN . . . -64.01 -62.96 1.3 Allowed 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.461 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -63.09 -15.8 57.82 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.755 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.64 -46.49 46.39 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.535 HD22 ' H ' ' D' ' 20' ' ' MET . 7.5 t-20 -64.59 -38.82 92.34 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.552 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' D' ' 28' ' ' LEU . 3.6 mm? -65.14 -37.7 88.26 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.547 ' HG2' HD12 ' D' ' 33' ' ' ILE . 40.1 tt0 -66.11 -39.99 90.38 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.75 -43.37 98.99 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.53 -41.2 98.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.558 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -81.29 -59.54 2.6 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' D' ' 29' ' ' GLN . 60.7 mt -62.21 -47.41 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.543 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.42 HD21 ' N ' ' E' ' 33' ' ' ILE . 33.2 m120 -61.92 -41.23 97.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.595 0.634 . . . . 0.0 110.517 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 56.0 t80 -57.36 -46.07 83.73 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.819 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -68.3 -38.24 81.42 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.015 0.822 . . . . 0.0 111.908 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' E' ' 33' ' ' ILE . 42.3 mt -67.39 -44.92 77.72 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.858 0.837 . . . . 0.0 110.228 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.53 -42.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.588 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.9 mt -60.56 -44.65 95.91 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' C' ' 44' ' ' LEU . 1.1 mm -64.04 -42.96 97.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.9 m -58.28 -48.25 81.06 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 124.034 0.833 . . . . 0.0 109.379 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.5 mt -63.51 -39.7 95.12 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.534 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' C' ' 44' ' ' LEU . 13.8 tp -73.6 -25.84 60.52 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.056 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.542 HD13 HG23 ' E' ' 40' ' ' ILE . 4.1 mt -72.39 -37.17 68.79 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' D' ' 42' ' ' LEU . 58.3 mt -61.99 -41.35 90.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.27 -41.89 97.71 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.537 HG13 HD11 ' C' ' 48' ' ' ILE . 76.7 mt -64.35 -42.96 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.539 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.504 HD11 HG13 ' E' ' 47' ' ' ILE . 2.4 mm -61.76 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 124.595 1.185 . . . . 0.0 111.056 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.62 -45.43 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.508 ' HB3' HD21 ' C' ' 51' ' ' LEU . 82.3 mmm -67.18 -30.46 70.43 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 125.172 1.545 . . . . 0.0 110.554 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.67 -42.46 61.28 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 121.764 0.792 . . . . 0.0 109.129 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--O 1.218 -0.556 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.551 178.349 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.54 -34.57 75.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.29 -42.3 96.47 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.377 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.8 -44.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 123.989 0.806 . . . . 0.0 108.974 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -60.58 -47.83 84.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.635 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -63.41 -40.78 98.11 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 123.864 0.728 . . . . 0.0 109.916 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.463 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -62.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.665 0.603 . . . . 0.0 109.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.74 -45.73 91.36 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.33 -43.03 99.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.911 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.47 -39.91 94.71 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.641 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.29 93.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -65.0 -42.67 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 124.094 0.871 . . . . 0.0 108.871 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.445 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -59.45 -42.13 91.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.47 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.445 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -69.47 -40.96 76.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.189 178.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 134.39 54.51 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.989 0.806 . . . . 0.0 110.884 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 3.7 t -133.84 126.82 31.33 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 tp -135.73 139.55 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.709 0.631 . . . . 0.0 111.245 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.5 167.79 21.33 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.101 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.539 ' H ' HD22 ' E' ' 27' ' ' ASN . 14.4 mtt -57.52 139.45 80.96 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.614 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.6 -62.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.509 2.431 0 C-N-CA 122.343 2.029 . . . . 0.0 112.44 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -65.52 -40.97 93.59 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.3 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . 0.463 HE22 ' N ' ' A' ' 24' ' ' ALA . 77.8 mt-30 -99.63 42.86 1.08 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.54 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.48 ' N ' HE22 ' D' ' 23' ' ' GLN . . . -64.33 -63.6 1.1 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.136 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -62.15 -16.57 53.67 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.767 0.667 . . . . 0.0 111.276 -179.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -73.76 -47.98 35.03 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.539 HD22 ' H ' ' E' ' 20' ' ' MET . 7.4 t-20 -62.05 -38.87 90.4 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.496 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' E' ' 28' ' ' LEU . 3.5 mm? -64.72 -36.89 85.76 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -66.71 -39.48 88.04 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.89 -39.67 95.19 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -82.09 -60.02 2.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.9 mt -61.51 -47.58 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 33' ' ' ILE . 32.8 m120 -61.72 -40.71 96.03 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.482 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 56.1 t80 -57.81 -45.4 86.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.87 -52.94 57.71 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 122.861 0.465 . . . . 0.0 110.36 178.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.37 -43.98 92.8 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.796 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.67 -43.4 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.4 mt -61.81 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.542 HG23 HD13 ' D' ' 44' ' ' LEU . 53.7 mt -66.32 -42.12 90.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 123.437 0.461 . . . . 0.0 110.235 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.3 m -56.34 -48.68 76.28 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -63.09 -39.77 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.341 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' D' ' 44' ' ' LEU . 10.3 tp -65.16 -50.72 64.89 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' E' ' 47' ' ' ILE . 2.3 mt -54.05 -35.67 62.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.68 0.392 . . . . 0.0 110.029 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' E' ' 42' ' ' LEU . 55.8 mt -62.23 -42.14 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.57 -38.44 91.0 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.4 mt -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.515 HD11 HG13 ' A' ' 47' ' ' ILE . 1.8 mm -63.38 -44.9 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 124.553 1.158 . . . . 0.0 110.596 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' E' ' 45' ' ' ILE . 43.8 t -62.37 -46.52 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.581 0.551 . . . . 0.0 109.583 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 123.919 0.762 . . . . 0.0 108.987 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 50' ' ' MET . 8.5 tt -55.51 -41.15 72.7 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.218 0.949 . . . . 0.0 110.041 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.926 178.181 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.79 -36.89 82.4 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.96 -41.63 95.3 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.686 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.74 -45.15 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 124.006 0.816 . . . . 0.0 109.056 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -62.65 -42.81 99.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.52 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.8 -40.92 96.9 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.908 0.755 . . . . 0.0 109.189 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -43.3 99.11 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.981 0.8 . . . . 0.0 109.024 179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 m -62.4 -46.3 89.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.194 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.34 -41.63 98.73 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.316 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.85 -41.31 97.83 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.915 0.76 . . . . 0.0 110.305 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.19 94.17 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.63 -42.46 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.812 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -61.5 -40.05 93.19 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.177 0.923 . . . . 0.0 110.224 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -68.0 -17.35 64.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.704 179.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.41 17.71 7.01 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.872 0.733 . . . . 0.0 111.151 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -149.85 -95.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.15 130.19 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.461 0.705 . . . . 0.0 109.19 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -134.5 43.54 2.76 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.391 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -154.64 122.11 2.87 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.503 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.1 106.57 2.3 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.288 1.992 . . . . 0.0 111.876 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.95 -31.61 72.93 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.724 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -55.91 -31.62 63.03 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.937 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.67 47.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.619 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -59.92 -36.11 76.32 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.011 0.91 . . . . 0.0 108.965 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -64.16 -41.25 97.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.946 -1.933 . . . . 0.0 109.358 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -22.57 37.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.829 0.705 . . . . 0.0 111.933 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.87 -40.06 96.35 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.506 HE22 ' NE2' ' E' ' 29' ' ' GLN . 56.8 tt0 -53.96 -35.77 62.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.967 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -43.86 90.53 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.634 1.209 . . . . 0.0 110.925 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.19 -46.67 85.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.91 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.57 -49.71 70.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.325 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.43 HD12 ' HG2' ' A' ' 29' ' ' GLN . 83.7 mt -66.97 -43.93 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.14 -40.78 98.57 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 123.652 0.595 . . . . 0.0 109.909 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.1 t80 -54.41 -48.04 72.07 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.589 0.555 . . . . 0.0 111.127 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.8 OUTLIER -64.93 -49.61 69.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 123.295 0.372 . . . . 0.0 110.286 179.31 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.1 mt -59.15 -42.58 91.04 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 124.107 0.88 . . . . 0.0 110.471 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.86 -42.32 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 124.442 1.089 . . . . 0.0 108.978 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 36.3 mt -61.7 -43.0 99.69 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.724 0.64 . . . . 0.0 109.333 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.604 HD12 HD13 ' E' ' 44' ' ' LEU . 30.6 mm -64.65 -42.34 94.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.164 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 74.1 m -60.49 -48.55 81.26 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 124.304 1.002 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.49 -40.84 96.02 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.609 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' E' ' 44' ' ' LEU . 25.2 tp -78.42 -20.45 51.07 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.705 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.747 HD23 HD23 ' B' ' 43' ' ' LEU . 0.3 OUTLIER -70.81 -33.03 70.28 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.353 0.978 . . . . 0.0 109.147 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.39 -42.75 97.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.302 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -64.36 -38.99 92.97 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.7 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.646 HG13 HD11 ' E' ' 48' ' ' ILE . 85.1 mt -63.23 -43.01 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.65 HG13 HD21 ' B' ' 43' ' ' LEU . 1.7 mm -64.04 -44.91 97.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 O-C-N 124.045 0.841 . . . . 0.0 110.874 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.82 -43.98 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.912 0.757 . . . . 0.0 108.962 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.3 mmm -67.29 -34.92 78.42 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.501 1.125 . . . . 0.0 110.529 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.75 -38.08 73.47 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.307 177.337 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.19 -36.69 82.66 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.83 -41.63 95.6 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.716 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.86 -45.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -62.46 -42.4 99.44 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.675 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.84 -41.24 97.56 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.153 0.908 . . . . 0.0 109.184 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.89 -42.78 99.48 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.003 0.815 . . . . 0.0 109.023 179.46 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -62.4 -46.7 87.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.264 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -62.31 -41.62 98.69 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.334 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.12 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.3 88.79 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.274 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.22 -44.66 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.439 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.3 ptt180 -71.4 -23.41 61.87 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.492 0.495 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.439 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 -70.45 -18.48 63.0 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.19 14.69 6.2 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.092 0.87 . . . . 0.0 111.354 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.8 m -148.96 -94.66 0.07 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.199 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.2 pt -114.79 131.56 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.407 0.683 . . . . 0.0 109.378 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -136.18 42.77 2.55 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.302 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttp -154.34 121.92 2.91 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.73 106.72 2.31 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.179 1.919 . . . . 0.0 111.898 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -64.89 -30.92 71.94 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.811 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.83 -31.36 64.66 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.076 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 46.76 0.49 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.63 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -59.65 -35.39 74.33 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -65.11 -39.91 93.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 112.776 -2.011 . . . . 0.0 109.769 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.21 -22.99 35.65 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.816 0.697 . . . . 0.0 111.811 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.14 -39.81 95.77 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.499 ' NE2' HE22 ' C' ' 29' ' ' GLN . 58.3 tt0 -53.69 -35.93 61.64 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.304 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -44.22 91.69 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.653 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.74 -46.92 85.85 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 123.313 0.383 . . . . 0.0 111.694 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.75 -49.33 71.19 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.929 0.768 . . . . 0.0 112.058 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.447 HD12 ' HG2' ' B' ' 29' ' ' GLN . 86.8 mt -67.46 -43.96 87.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 123.449 0.468 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -62.99 -40.6 98.25 Favored 'General case' 0 C--O 1.209 -1.056 0 O-C-N 123.588 0.555 . . . . 0.0 109.887 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.514 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 63.5 t80 -54.73 -49.3 71.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.279 0.362 . . . . 0.0 111.106 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -64.4 -47.94 77.3 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.58 0.55 . . . . 0.0 109.997 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -58.36 -44.58 88.87 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 123.185 0.594 . . . . 0.0 110.125 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.66 -42.9 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.584 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 55.3 mt -61.55 -42.78 99.34 Favored 'General case' 0 C--O 1.25 1.086 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.566 HD12 HD13 ' A' ' 44' ' ' LEU . 31.0 mm -64.05 -42.69 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 71.1 m -60.94 -49.51 77.15 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 124.163 0.914 . . . . 0.0 110.185 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.04 -42.28 94.07 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 124.292 0.995 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 HD23 ' A' ' 44' ' ' LEU . 23.9 tp -70.37 -47.72 59.64 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.269 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.624 HD13 HD12 ' C' ' 40' ' ' ILE . 0.2 OUTLIER -46.09 -34.97 4.52 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.105 0.866 . . . . 0.0 111.77 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.429 ' O ' HG23 ' B' ' 49' ' ' VAL . 76.5 mt -63.43 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -66.57 -35.69 80.83 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.429 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' B' ' 44' ' ' LEU . 97.8 mt -63.25 -43.63 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.642 HD11 HG13 ' C' ' 47' ' ' ILE . 2.8 mm -63.62 -44.69 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.326 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.8 t -64.15 -44.04 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 124.113 0.883 . . . . 0.0 109.577 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.6 mmm -66.74 -34.4 77.75 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.928 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.58 -37.95 74.01 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.963 177.674 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.55 -36.73 83.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.72 -41.82 95.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.605 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.89 -45.3 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 124.046 0.841 . . . . 0.0 108.838 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -62.26 -42.76 99.61 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 124.143 0.902 . . . . 0.0 109.62 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -61.91 -40.89 97.0 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.919 0.762 . . . . 0.0 109.26 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.427 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.88 -43.02 99.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.993 0.808 . . . . 0.0 109.057 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -62.45 -46.38 88.77 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.3 -41.77 98.8 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.246 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.92 0.763 . . . . 0.0 110.432 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.14 94.23 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.8 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.6 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.878 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -61.35 -40.1 93.0 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.268 0.98 . . . . 0.0 110.218 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -68.0 -17.45 64.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.646 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.23 17.64 7.11 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.847 0.717 . . . . 0.0 111.193 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -149.88 -95.81 0.07 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.19 130.02 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.38 0.672 . . . . 0.0 109.266 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -134.39 43.36 2.79 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.408 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -154.53 122.0 2.88 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.523 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.95 106.75 2.33 Favored 'Trans proline' 0 N--CA 1.502 2.018 0 C-N-CA 122.267 1.978 . . . . 0.0 111.839 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -64.99 -31.09 72.17 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.735 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.49 -31.09 63.71 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.199 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.41 46.15 0.41 Allowed 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.959 -1.018 . . . . 0.0 112.677 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -59.75 -35.55 74.82 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -65.13 -40.77 94.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.053 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.66 -22.76 34.52 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.014 0.821 . . . . 0.0 111.71 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.41 -39.76 95.38 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.499 HE22 ' NE2' ' B' ' 29' ' ' GLN . 56.5 tt0 -53.54 -35.49 60.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.092 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -44.1 91.95 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.869 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.5 -46.72 84.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 123.877 0.735 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.06 -49.47 72.19 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.089 0.868 . . . . 0.0 112.331 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' C' ' 29' ' ' GLN . 87.5 mt -67.01 -43.77 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.8 -40.23 96.71 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 123.605 0.566 . . . . 0.0 109.608 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.541 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 70.6 t80 -56.03 -48.24 76.35 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.281 0.363 . . . . 0.0 111.212 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -63.27 -50.85 68.53 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' C' ' 40' ' ' ILE . 67.1 mt -52.8 -72.41 0.05 Allowed 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -34.12 -44.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.6 mt -62.22 -45.85 91.48 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 110.369 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.624 HD12 HD13 ' B' ' 44' ' ' LEU . 25.8 mm -62.58 -42.4 95.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.4 m -59.41 -49.58 77.27 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.509 1.13 . . . . 0.0 109.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.82 -40.21 91.91 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.011 0.82 . . . . 0.0 109.837 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 44' ' ' LEU . 26.9 tp -77.84 -20.23 53.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.9 0.75 . . . . 0.0 110.586 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.769 HD23 HD23 ' D' ' 43' ' ' LEU . 0.3 OUTLIER -71.25 -33.31 69.69 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 119.359 0.981 . . . . 0.0 108.848 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.41 ' O ' HG23 ' C' ' 49' ' ' VAL . 80.4 mt -63.65 -42.71 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.1 m -64.59 -38.53 91.32 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.792 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.642 HG13 HD11 ' B' ' 48' ' ' ILE . 82.8 mt -62.96 -43.54 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.654 HG13 HD21 ' D' ' 43' ' ' LEU . 1.6 mm -63.83 -45.13 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.381 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.41 HG23 ' O ' ' C' ' 45' ' ' ILE . 52.4 t -62.99 -44.69 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 66.4 mmm -66.84 -35.04 79.14 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.741 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 45.1 tp -69.93 -38.16 76.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.157 177.584 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.95 -36.78 82.43 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.63 -41.9 95.84 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.535 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 124.121 0.888 . . . . 0.0 108.829 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -62.81 -42.8 99.87 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.514 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.72 -40.79 96.29 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.992 0.807 . . . . 0.0 109.232 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.437 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.81 -43.2 99.32 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -62.49 -46.17 89.69 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.44 -41.63 98.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.284 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -63.84 -41.29 97.85 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.927 0.767 . . . . 0.0 110.425 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.08 94.42 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.736 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.83 -42.37 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.892 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -61.5 -39.95 92.84 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.167 0.917 . . . . 0.0 110.155 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -68.11 -17.32 64.33 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.643 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.41 17.69 7.01 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.758 0.662 . . . . 0.0 111.061 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -149.89 -95.79 0.07 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.842 0.714 . . . . 0.0 109.083 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.38 130.15 69.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 123.398 0.679 . . . . 0.0 109.28 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -134.47 44.11 2.71 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.323 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttp -155.21 121.37 2.66 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.58 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.81 106.74 2.32 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.371 2.047 . . . . 0.0 111.858 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.56 -31.03 72.07 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.812 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.83 -31.41 64.72 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.183 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 48.04 0.58 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.768 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' D' ' 28' ' ' LEU . 93.9 mtt180 -60.79 -35.89 77.62 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.938 0.875 . . . . 0.0 108.677 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -65.26 -39.26 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.505 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.46 -23.16 32.35 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.886 0.741 . . . . 0.0 112.004 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' D' ' 25' ' ' ARG . 18.0 mt -62.89 -39.84 95.73 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.496 HE22 ' NE2' ' C' ' 29' ' ' GLN . 58.1 tt0 -53.14 -35.63 59.92 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.143 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -43.53 93.51 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.76 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.47 -47.02 83.53 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 123.372 0.42 . . . . 0.0 112.086 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.93 -50.11 69.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.026 0.829 . . . . 0.0 112.326 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.455 HD12 ' HG2' ' D' ' 29' ' ' GLN . 88.6 mt -66.83 -43.71 89.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.22 -40.69 98.18 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 123.615 0.572 . . . . 0.0 110.17 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 63.0 t80 -54.52 -48.9 71.38 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.736 0.647 . . . . 0.0 111.304 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.57 -48.87 73.37 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 123.954 0.784 . . . . 0.0 110.567 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.92 -43.33 86.19 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.729 0.643 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.41 -43.03 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 124.949 1.406 . . . . 0.0 109.019 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 52.7 mt -61.93 -43.14 99.46 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 HD13 ' C' ' 44' ' ' LEU . 28.4 mm -63.65 -42.86 97.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 82.8 m -61.63 -48.45 80.83 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.987 0.805 . . . . 0.0 110.325 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -60.64 -42.41 96.89 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 124.16 0.913 . . . . 0.0 109.696 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.769 HD23 HD23 ' C' ' 44' ' ' LEU . 24.1 tp -69.67 -48.25 60.44 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.749 HD23 HD23 ' E' ' 43' ' ' LEU . 0.2 OUTLIER -45.52 -34.95 3.54 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.068 0.849 . . . . 0.0 112.123 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.45 ' O ' HG23 ' D' ' 49' ' ' VAL . 77.4 mt -63.58 -44.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -66.31 -35.59 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.419 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.1 mt -62.95 -43.3 98.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.62 HG13 HD21 ' E' ' 43' ' ' LEU . 1.5 mm -64.53 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 124.132 0.973 . . . . 0.0 110.724 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' D' ' 45' ' ' ILE . 56.0 t -63.77 -43.73 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 124.058 0.849 . . . . 0.0 108.886 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mmm -67.41 -35.05 78.52 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.001 0.813 . . . . 0.0 110.701 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.91 -38.22 76.21 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 CA--C 1.547 0.852 0 CA-C-O 118.068 -0.968 . . . . 0.0 109.955 177.342 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.36 -36.57 82.65 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.68 -41.87 95.75 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.596 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.9 -44.81 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 124.122 0.889 . . . . 0.0 108.82 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -63.1 -42.43 99.58 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.083 0.864 . . . . 0.0 109.598 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.85 -40.77 96.49 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 124.051 0.844 . . . . 0.0 109.215 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.429 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.13 99.47 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.984 0.802 . . . . 0.0 108.987 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 14.0 m -62.64 -46.14 89.62 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.315 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.37 -41.75 98.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.231 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.86 -41.28 97.82 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.864 0.728 . . . . 0.0 110.361 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.15 94.34 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.73 -42.38 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.878 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.5 ttp180 -61.62 -39.96 93.14 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.23 0.956 . . . . 0.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -68.14 -17.28 64.31 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.584 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.26 17.83 7.08 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.729 0.643 . . . . 0.0 111.136 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -149.86 -96.0 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.22 130.23 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 123.383 0.673 . . . . 0.0 109.264 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -134.48 43.73 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.421 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -154.73 122.11 2.85 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.6 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 N--CA 1.502 2.027 0 C-N-CA 122.388 2.058 . . . . 0.0 111.857 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.98 -31.42 72.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.048 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.19 -31.68 63.67 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.477 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 47.38 0.48 Allowed 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.864 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -60.47 -35.29 75.53 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.174 0.988 . . . . 0.0 109.107 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.17 -39.48 92.98 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 112.536 -2.12 . . . . 0.0 109.338 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.13 -22.47 33.33 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.216 0.948 . . . . 0.0 112.058 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.87 -40.07 96.37 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.506 ' NE2' HE22 ' A' ' 29' ' ' GLN . 57.5 tt0 -53.29 -35.59 60.26 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.196 177.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -43.87 92.56 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 124.292 0.995 . . . . 0.0 110.862 -177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.32 -46.86 84.7 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 123.672 0.607 . . . . 0.0 111.831 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.54 -49.63 70.48 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.159 0.912 . . . . 0.0 112.396 -177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' E' ' 29' ' ' GLN . 84.2 mt -67.05 -44.1 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 123.43 0.457 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -63.05 -40.57 98.11 Favored 'General case' 0 C--O 1.2 -1.507 0 O-C-N 123.487 0.492 . . . . 0.0 109.811 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 63.9 t80 -54.15 -48.8 70.45 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.283 0.365 . . . . 0.0 111.181 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.74 -48.93 72.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.045 0.45 . . . . 0.0 110.24 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.9 -42.74 94.52 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.76 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.33 -42.76 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 124.718 1.261 . . . . 0.0 108.485 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.501 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.2 mt -61.7 -43.79 98.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.571 HD12 HD13 ' D' ' 44' ' ' LEU . 30.1 mm -64.05 -42.18 94.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 123.707 0.63 . . . . 0.0 109.513 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.777 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 75.1 m -60.76 -48.37 82.09 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.989 0.806 . . . . 0.0 110.288 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.62 -42.17 96.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 124.291 0.995 . . . . 0.0 109.846 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.749 HD23 HD23 ' D' ' 44' ' ' LEU . 23.0 tp -70.38 -48.44 56.26 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.21 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.604 HD13 HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -45.35 -34.91 3.24 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.911 0.778 . . . . 0.0 111.705 179.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.472 ' O ' HG23 ' E' ' 49' ' ' VAL . 77.3 mt -63.47 -44.04 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -35.66 80.83 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.556 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' E' ' 44' ' ' LEU . 95.2 mt -63.21 -43.98 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.646 HD11 HG13 ' A' ' 47' ' ' ILE . 2.9 mm -64.27 -45.27 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.161 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.472 HG23 ' O ' ' E' ' 45' ' ' ILE . 46.8 t -62.05 -44.05 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 123.73 0.643 . . . . 0.0 109.575 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 64.9 mmm -61.8 -60.48 3.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.89 -35.11 14.06 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 124.108 0.88 . . . . 0.0 110.616 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 118.26 -0.876 . . . . 0.0 109.877 177.279 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -37.73 81.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.34 -43.83 93.41 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.317 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.53 -45.08 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 124.03 0.831 . . . . 0.0 108.852 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.32 -47.87 77.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 124.06 0.85 . . . . 0.0 109.68 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -64.32 -40.5 96.03 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 123.907 0.754 . . . . 0.0 109.59 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.5 tm? -60.87 -42.59 98.19 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.883 0.739 . . . . 0.0 109.644 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.8 m -62.62 -46.57 87.66 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -61.6 -43.76 98.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.774 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -65.59 -38.87 90.75 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.985 0.803 . . . . 0.0 110.426 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.73 93.09 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.841 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.97 -42.82 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.142 0.901 . . . . 0.0 109.047 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.6 ttp180 -58.47 -42.83 88.38 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.273 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.477 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -71.08 -40.36 71.63 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.952 178.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.48 -13.56 52.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.532 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -138.21 144.25 40.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.586 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.4 pt -99.45 142.05 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 124.218 0.949 . . . . 0.0 108.735 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -130.8 24.17 5.01 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.765 0.665 . . . . 0.0 110.405 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.36 -174.12 0.48 Allowed Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.254 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.81 -20.71 44.84 Favored 'Trans proline' 0 N--CA 1.509 2.393 0 C-N-CA 122.192 1.928 . . . . 0.0 110.164 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.37 -37.63 75.62 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.593 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -68.95 -43.4 75.09 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.684 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.89 17.71 7.48 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.004 0.43 . . . . 0.0 110.986 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -70.25 162.5 28.34 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.894 0.854 . . . . 0.0 112.115 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 HE22 ' NE2' ' A' ' 29' ' ' GLN . 55.7 mm-40 -60.97 -39.37 89.32 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.09 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.31 -46.61 89.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.26 -24.68 67.38 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 113.389 -1.732 . . . . 0.0 110.978 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' NE2' HE22 ' A' ' 26' ' ' GLN . 47.3 tt0 -63.79 -32.14 73.55 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.59 -46.35 89.19 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.069 0.856 . . . . 0.0 108.885 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.55 96.86 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.608 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.38 -56.89 6.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.697 HG23 HD11 ' E' ' 37' ' ' LEU . 68.1 mt -65.22 -44.83 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.017 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.429 HD21 ' N ' ' B' ' 33' ' ' ILE . 23.5 m120 -60.63 -41.64 95.26 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 41.8 t80 -58.84 -46.25 88.14 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.399 0.437 . . . . 0.0 110.865 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -68.74 -38.93 80.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.614 0.572 . . . . 0.0 111.26 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.676 HD11 HG23 ' B' ' 33' ' ' ILE . 23.2 mt -64.43 -44.31 91.6 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 122.044 0.926 . . . . 0.0 108.711 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.41 -39.82 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 112.28 -2.237 . . . . 0.0 107.664 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 26.4 mt -63.23 -43.38 98.22 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.658 HG23 HD11 ' E' ' 44' ' ' LEU . 31.7 mm -62.43 -43.5 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 59.8 m -55.66 -49.17 73.62 Favored 'General case' 0 C--N 1.364 1.204 0 CA-C-O 121.475 0.655 . . . . 0.0 109.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.31 -39.78 92.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.045 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.9 -28.13 57.94 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.379 0.425 . . . . 0.0 111.741 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.738 HD11 HG23 ' B' ' 40' ' ' ILE . 20.0 mt -66.49 -38.26 86.88 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.74 -42.58 96.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.8 -36.83 82.25 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 44' ' ' LEU . 55.3 mt -64.37 -43.25 97.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.24 -42.88 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.28 -44.35 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 123.381 0.426 . . . . 0.0 110.295 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.61 -71.75 0.33 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.647 0.592 . . . . 0.0 111.174 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.84 HD22 HD21 ' E' ' 51' ' ' LEU . 60.5 tp -61.05 -47.52 85.98 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.804 0.842 . . . . 0.0 113.272 -178.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.381 -178.091 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.16 -37.34 79.85 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.33 -43.67 93.92 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.479 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.59 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.95 0.781 . . . . 0.0 109.006 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.19 -48.16 79.46 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.275 0.984 . . . . 0.0 109.649 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.16 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.642 0.589 . . . . 0.0 109.693 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.18 -42.51 98.7 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.78 0.675 . . . . 0.0 109.777 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.73 -45.91 90.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.16 -43.65 98.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.79 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -65.46 -38.49 90.0 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.058 0.849 . . . . 0.0 110.563 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.9 92.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.723 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.93 -42.8 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 124.135 0.897 . . . . 0.0 108.972 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.7 ttp180 -58.45 -42.72 88.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.399 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -70.99 -40.44 71.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.081 178.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.14 -13.53 48.79 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.622 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -140.63 142.95 34.95 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 pt -96.9 140.4 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 123.749 0.656 . . . . 0.0 109.781 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -121.34 11.74 10.8 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.676 0.61 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' B' ' 20' ' ' MET . 2.3 mmt -74.83 -176.82 0.58 Allowed Pre-proline 0 N--CA 1.482 1.162 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.597 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.52 -20.5 41.53 Favored 'Trans proline' 0 N--CA 1.512 2.607 0 C-N-CA 122.105 1.87 . . . . 0.0 110.574 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -57.74 -37.25 73.25 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.712 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.63 -42.57 82.08 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.918 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.11 18.63 7.8 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 123.349 0.405 . . . . 0.0 110.654 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -70.74 163.77 26.51 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.167 0.587 . . . . 0.0 112.217 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.458 HE22 ' NE2' ' B' ' 29' ' ' GLN . 52.6 mm-40 -60.81 -40.45 92.77 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 114.531 -1.213 . . . . 0.0 113.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.79 -45.74 93.21 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.56 -24.21 67.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.03 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.458 ' NE2' HE22 ' B' ' 26' ' ' GLN . 48.8 tt0 -64.41 -33.64 76.33 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.49 -47.05 82.96 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 124.284 0.99 . . . . 0.0 108.87 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.07 -44.87 96.72 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.636 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -69.06 -56.51 7.51 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.676 HG23 HD11 ' A' ' 37' ' ' LEU . 69.3 mt -65.45 -44.44 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.371 0.419 . . . . 0.0 111.107 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.422 HD21 ' N ' ' C' ' 33' ' ' ILE . 22.6 m120 -60.71 -42.17 96.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.627 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 42.1 t80 -58.61 -46.35 87.21 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.57 0.543 . . . . 0.0 110.463 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.879 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.8 t -68.52 -39.15 81.33 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.515 0.51 . . . . 0.0 111.542 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' C' ' 33' ' ' ILE . 22.2 mt -64.57 -43.61 93.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.049 0.928 . . . . 0.0 108.79 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.3 -39.54 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 112.53 -2.123 . . . . 0.0 107.475 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 25.1 mt -63.21 -43.01 99.33 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.738 HG23 HD11 ' A' ' 44' ' ' LEU . 25.7 mm -63.09 -43.24 98.84 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 60.6 m -55.95 -49.5 73.37 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.228 0.537 . . . . 0.0 109.831 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.97 -39.84 94.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.197 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.8 -27.87 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.894 0.478 . . . . 0.0 111.717 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.714 HD11 HG23 ' C' ' 40' ' ' ILE . 18.2 mt -67.1 -38.34 85.48 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.74 -42.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.26 -36.96 83.67 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' B' ' 44' ' ' LEU . 52.3 mt -64.27 -42.51 95.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 18.2 mm -60.79 -42.97 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.02 -47.06 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 123.308 0.38 . . . . 0.0 110.662 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.84 -41.66 64.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.69 HD21 HD22 ' C' ' 51' ' ' LEU . 54.0 tp -88.92 -53.9 4.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.27 -178.307 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.44 -37.36 80.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.7 -43.53 93.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.424 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.68 -44.62 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 124.034 0.834 . . . . 0.0 108.869 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.86 -48.19 78.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.377 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -64.47 -41.09 96.71 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.64 0.587 . . . . 0.0 109.728 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.487 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.6 tm? -60.96 -42.67 98.72 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.765 0.666 . . . . 0.0 109.797 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.7 m -62.5 -45.99 90.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -62.14 -43.62 98.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.924 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.8 m -65.4 -38.68 90.71 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.511 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.96 92.57 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.765 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.84 -42.9 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.138 0.898 . . . . 0.0 108.988 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.8 ttp180 -58.61 -42.51 88.3 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.301 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -71.15 -40.24 71.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.009 178.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -13.6 51.86 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.363 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -138.18 144.38 40.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.655 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 pt -99.71 141.61 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 124.174 0.921 . . . . 0.0 108.821 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -130.39 23.94 5.15 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.797 0.686 . . . . 0.0 110.409 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.2 -174.13 0.48 Allowed Pre-proline 0 CA--C 1.55 0.979 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.338 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.54 -21.21 45.08 Favored 'Trans proline' 0 N--CA 1.511 2.535 0 C-N-CA 122.114 1.876 . . . . 0.0 110.206 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -57.92 -36.68 72.83 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.79 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.49 -44.05 71.91 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.796 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.95 17.16 7.09 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.864 0.364 . . . . 0.0 111.005 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -69.49 162.75 26.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.73 0.776 . . . . 0.0 112.072 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -60.61 -40.54 92.22 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 114.036 -1.438 . . . . 0.0 113.034 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -59.94 -46.55 89.05 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.06 -24.33 67.44 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.594 -1.639 . . . . 0.0 110.981 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -64.0 -32.31 73.81 Favored 'General case' 0 C--N 1.358 0.962 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.29 -46.94 87.2 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.13 -44.26 97.6 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.943 0.777 . . . . 0.0 111.419 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -69.44 -56.84 6.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' B' ' 37' ' ' LEU . 71.4 mt -65.09 -44.61 95.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 119.332 -0.366 . . . . 0.0 110.812 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.416 HD21 ' N ' ' D' ' 33' ' ' ILE . 23.3 m120 -61.08 -41.83 97.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.456 -0.498 . . . . 0.0 109.8 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.491 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 43.8 t80 -57.22 -45.74 83.57 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.052 0.22 . . . . 0.0 110.442 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -66.53 -51.27 58.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.451 0.469 . . . . 0.0 110.306 179.113 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.699 HD11 HG23 ' D' ' 33' ' ' ILE . 23.7 mt -55.02 -44.12 74.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 123.707 0.63 . . . . 0.0 109.387 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.51 -42.3 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.457 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.66 -41.73 99.23 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.714 HG23 HD11 ' B' ' 44' ' ' LEU . 37.8 mm -63.02 -43.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 60.8 m -56.47 -48.74 76.46 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.447 0.467 . . . . 0.0 109.874 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.96 -40.26 94.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.004 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.1 -27.92 60.06 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.929 0.492 . . . . 0.0 111.389 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.672 HD11 HG23 ' D' ' 40' ' ' ILE . 17.2 mt -67.43 -38.13 84.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.01 -42.46 95.76 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -62.09 -36.98 83.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.715 0.634 . . . . 0.0 109.314 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' C' ' 44' ' ' LEU . 52.5 mt -64.03 -42.74 96.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mm -60.83 -42.96 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.68 -47.43 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 123.142 0.276 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 94.8 mmm -72.53 -40.94 66.38 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.695 HD21 HD22 ' D' ' 51' ' ' LEU . 54.3 tp -90.41 -54.27 4.08 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 CA--C 1.562 1.414 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.373 -178.182 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.93 -37.48 82.47 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.32 -44.22 92.24 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 124.165 0.915 . . . . 0.0 109.464 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.12 -45.57 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 124.0 0.813 . . . . 0.0 108.915 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -55.58 -48.0 75.53 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.31 1.006 . . . . 0.0 109.657 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -64.43 -40.64 96.15 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 123.875 0.734 . . . . 0.0 109.659 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.485 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.11 -41.68 97.14 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.588 0.555 . . . . 0.0 109.985 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 21.7 m -63.1 -46.91 85.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -61.27 -43.71 98.43 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.915 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -38.82 90.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.573 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.76 92.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.843 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.95 -42.72 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 124.063 0.852 . . . . 0.0 109.005 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.8 ttp180 -58.49 -42.92 88.7 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.346 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.69 -40.53 72.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.132 178.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 -13.58 52.5 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.45 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -138.28 144.31 40.43 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.747 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.1 pt -99.67 142.06 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 124.308 1.005 . . . . 0.0 108.7 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -131.05 24.3 4.93 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.711 0.632 . . . . 0.0 110.468 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mmt -86.34 -173.87 0.46 Allowed Pre-proline 0 CA--C 1.55 0.959 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.344 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.66 -21.0 45.01 Favored 'Trans proline' 0 N--CA 1.513 2.641 0 C-N-CA 121.897 1.731 . . . . 0.0 110.253 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.35 -37.24 74.78 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.742 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -68.55 -43.89 75.67 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.29 17.4 7.21 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.367 0.603 . . . . 0.0 111.319 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -69.6 164.26 23.7 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.078 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -61.13 -40.51 94.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.302 -1.772 . . . . 0.0 112.297 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.27 -25.05 67.48 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.629 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.29 -33.03 74.63 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.83 -46.74 86.98 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.37 -44.82 96.5 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.856 0.722 . . . . 0.0 111.497 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.64 -56.75 7.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.699 HG23 HD11 ' C' ' 37' ' ' LEU . 71.5 mt -65.16 -44.82 95.34 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.734 -177.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.428 HD21 ' N ' ' E' ' 33' ' ' ILE . 23.6 m120 -61.12 -41.62 97.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.651 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 43.7 t80 -57.49 -45.27 85.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.191 0.307 . . . . 0.0 110.517 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.3 t -67.19 -49.87 63.01 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.63 HD11 HG23 ' E' ' 33' ' ' ILE . 21.1 mt -55.94 -43.65 77.63 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.2 -41.37 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 113.811 -1.54 . . . . 0.0 107.731 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.5 mt -62.55 -42.11 99.33 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.672 HG23 HD11 ' C' ' 44' ' ' LEU . 35.3 mm -63.36 -43.8 98.72 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 60.0 m -55.3 -49.51 71.95 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.59 -41.86 95.96 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.995 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -65.11 -51.5 60.97 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.697 HD11 HG23 ' E' ' 40' ' ' ILE . 20.9 mt -49.27 -37.71 24.6 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.055 0.542 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.14 -43.72 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.52 -34.68 78.79 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' D' ' 44' ' ' LEU . 82.3 mt -63.77 -42.91 97.5 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.881 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.405 HD11 ' CG1' ' E' ' 47' ' ' ILE . 17.1 mm -60.88 -43.01 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.26 -47.72 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.242 0.339 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 94.6 mmm -71.77 -41.6 68.18 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.768 HD21 HD22 ' E' ' 51' ' ' LEU . 55.1 tp -91.54 -54.39 3.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 CA--C 1.563 1.48 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.001 -177.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.16 -37.42 80.08 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.5 -43.72 93.24 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.483 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.42 -44.73 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 123.976 0.797 . . . . 0.0 108.945 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -56.76 -48.16 78.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.383 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.56 -41.34 96.37 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.702 0.626 . . . . 0.0 109.741 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.483 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.6 tm? -60.78 -42.59 97.83 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 124.005 0.816 . . . . 0.0 109.712 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.67 -45.75 91.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -62.3 -43.48 98.73 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.919 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.45 -38.71 90.64 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.467 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.93 92.94 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.564 0.54 . . . . 0.0 109.811 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.1 -42.67 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.19 0.931 . . . . 0.0 108.97 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.473 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -58.49 -42.91 88.64 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.268 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.473 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.62 -40.51 73.1 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.168 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -13.51 50.08 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.566 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -138.6 144.34 39.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.603 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 pt -99.73 141.93 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.24 0.963 . . . . 0.0 108.734 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -130.87 24.19 4.99 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.809 0.693 . . . . 0.0 110.405 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 2.9 mmt -86.1 -174.15 0.48 Allowed Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.296 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.63 -21.29 46.16 Favored 'Trans proline' 0 N--CA 1.51 2.455 0 C-N-CA 122.039 1.826 . . . . 0.0 110.214 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.92 -37.23 73.69 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.8 177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.08 -43.6 74.23 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.735 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.1 17.98 6.38 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.76 0.663 . . . . 0.0 110.786 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -71.25 164.34 25.88 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.753 0.787 . . . . 0.0 112.148 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.423 HE22 ' NE2' ' E' ' 29' ' ' GLN . 52.3 mm-40 -62.55 -40.04 95.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.015 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.47 -45.59 93.16 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.64 -25.14 67.23 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 125.26 1.6 . . . . 0.0 110.792 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.423 ' NE2' HE22 ' E' ' 26' ' ' GLN . 48.9 tt0 -63.73 -32.65 74.22 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.93 -46.35 88.18 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.12 0.887 . . . . 0.0 109.087 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.01 -44.63 96.31 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.486 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.07 -56.99 6.86 Favored 'General case' 0 C--O 1.239 0.553 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.63 HG23 HD11 ' D' ' 37' ' ' LEU . 70.1 mt -65.46 -45.0 94.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.801 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.423 HD21 ' N ' ' A' ' 33' ' ' ILE . 22.1 m120 -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.617 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' E' ' 39' ' ' LEU . 45.0 t80 -59.33 -46.25 89.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.418 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.8 t -68.28 -36.33 79.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.985 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 33' ' ' ILE . 19.5 mt -62.63 -67.97 0.37 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.982 -2.97 . . . . 0.0 102.982 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 57.9 mt -37.64 -38.9 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.977 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' E' ' 35' ' ' PHE . 24.7 mt -63.7 -46.34 85.94 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 122.165 -0.334 . . . . 0.0 110.609 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.697 HG23 HD11 ' D' ' 44' ' ' LEU . 29.0 mm -61.21 -42.77 94.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 36.4 m -55.85 -48.99 74.53 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.06 -40.88 95.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.297 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' D' ' 44' ' ' LEU . 2.6 tp -65.35 -52.26 54.97 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' E' ' 47' ' ' ILE . 27.7 mt -48.34 -37.57 16.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.932 0.493 . . . . 0.0 111.169 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.51 -44.1 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.7 -34.78 78.62 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.781 0.676 . . . . 0.0 109.538 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.1 mt -64.03 -43.31 97.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 mm -61.22 -42.96 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 63.5 t -62.51 -44.96 99.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 O-C-N 123.344 0.402 . . . . 0.0 110.29 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.99 -72.22 0.28 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.734 0.646 . . . . 0.0 111.302 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.84 HD21 HD22 ' A' ' 51' ' ' LEU . 62.0 tp -61.65 -47.33 85.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 CA--C 1.568 1.651 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.09 -177.621 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.29 -43.62 94.18 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.531 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -45.41 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 124.073 0.858 . . . . 0.0 108.966 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -57.06 -46.99 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.132 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.71 -40.16 94.89 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.756 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.6 tm? -60.99 -42.59 98.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.651 0.594 . . . . 0.0 109.973 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.86 -47.43 85.05 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.95 -43.99 97.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.792 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.26 -39.83 94.74 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 124.067 0.854 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.91 90.8 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.115 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.32 -42.64 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' A' ' 14' ' ' ARG . 51.3 ttp180 -60.77 -41.82 96.26 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.008 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -70.22 -43.0 71.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.9 128.39 20.13 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 123.947 0.779 . . . . 0.0 111.259 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.543 HG23 ' CE1' ' B' ' 32' ' ' PHE . 72.3 m -58.22 -47.21 84.2 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.241 0.617 . . . . 0.0 110.004 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -92.67 126.04 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.102 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.62 142.63 28.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.342 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.45 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 74.3 mtp -73.69 -50.35 5.83 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.408 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 20' ' ' MET . 33.0 Cg_endo -63.26 141.2 81.15 Favored 'Trans proline' 0 N--CA 1.505 2.203 0 C-N-CA 122.108 1.872 . . . . 0.0 112.285 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.72 10.05 0.28 Allowed 'General case' 0 CA--C 1.545 0.785 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -48.51 -23.08 0.86 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.85 1.26 . . . . 0.0 112.649 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.51 135.1 33.58 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 HH11 ' HA ' ' A' ' 25' ' ' ARG . 3.9 mmt-85 -65.81 -2.25 3.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.072 0.858 . . . . 0.0 111.655 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -70.07 -52.87 20.48 Favored 'General case' 0 C--N 1.361 1.073 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 174.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.85 -37.09 80.89 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.177 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.9 -39.24 91.31 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' HG2' HD12 ' A' ' 33' ' ' ILE . 21.1 tt0 -66.82 -38.42 86.42 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.139 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.34 -43.78 98.03 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.02 -41.85 98.52 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.167 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' E' ' 17' ' ' THR . 6.8 m-30 -81.31 -56.09 4.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' N ' HD21 ' E' ' 34' ' ' ASN . 63.7 mt -62.3 -45.75 98.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.833 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.656 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.481 HD21 ' N ' ' B' ' 33' ' ' ILE . 31.2 m120 -63.07 -40.77 98.66 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 123.384 0.427 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 63.7 t80 -57.52 -45.84 84.53 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -66.02 -49.12 68.88 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 123.399 0.437 . . . . 0.0 110.061 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.906 0.754 . . . . 0.0 111.266 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.67 -43.1 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.3 mt -62.17 -42.52 99.34 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.785 0.678 . . . . 0.0 109.47 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.56 -43.75 98.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 80.1 m -56.97 -44.89 83.11 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.02 -33.94 76.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.09 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.6 tp -74.91 -30.46 61.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.943 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD23 HD11 ' B' ' 47' ' ' ILE . 5.5 mp -65.63 -39.52 91.55 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.3 -43.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.09 -36.09 83.2 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.937 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.432 ' HA ' HD11 ' E' ' 48' ' ' ILE . 23.0 mt -62.82 -41.79 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.515 HD12 ' HG3' ' B' ' 50' ' ' MET . 23.4 mm -63.52 -42.83 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.684 0.615 . . . . 0.0 109.393 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.14 -44.4 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.531 ' HG3' HD12 ' E' ' 48' ' ' ILE . 90.0 mmm -66.59 -38.12 86.34 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.815 0.697 . . . . 0.0 110.012 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.57 -41.81 97.93 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 CA--C 1.543 0.69 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.249 177.252 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.41 -38.69 77.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.117 0.484 . . . . 0.0 110.24 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.526 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.38 -45.42 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.27 -47.05 82.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.282 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.47 -40.12 95.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.744 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.475 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.7 tm? -61.23 -42.52 98.75 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.663 0.602 . . . . 0.0 109.803 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.05 -47.54 84.25 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.75 -44.23 97.31 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.958 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -63.98 -40.01 95.42 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.85 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -41.66 90.93 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.273 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.4 -42.63 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' B' ' 14' ' ' ARG . 51.2 ttp180 -60.76 -41.95 96.49 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.189 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -70.06 -43.34 71.4 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.892 0.745 . . . . 0.0 110.943 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.71 127.61 19.39 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.109 0.881 . . . . 0.0 111.07 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.57 HG23 ' CE1' ' C' ' 32' ' ' PHE . 70.7 m -58.23 -47.13 84.49 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 123.137 0.575 . . . . 0.0 109.872 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -92.32 126.62 44.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.112 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.92 143.46 28.52 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.438 ' N ' ' HD2' ' B' ' 21' ' ' PRO . 75.8 mtp -74.6 -50.45 4.49 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.296 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 20' ' ' MET . 34.5 Cg_endo -63.0 140.69 80.44 Favored 'Trans proline' 0 N--CA 1.513 2.631 0 C-N-CA 122.208 1.939 . . . . 0.0 112.182 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.45 10.0 0.3 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.329 1.018 . . . . 0.0 110.69 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -48.45 -22.86 0.79 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.618 1.167 . . . . 0.0 112.807 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.67 33.56 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.107 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -65.08 -4.57 4.97 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.532 0.52 . . . . 0.0 111.173 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -67.32 -53.01 33.48 Favored 'General case' 0 C--N 1.368 1.37 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 173.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -61.33 -36.41 80.08 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.029 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.61 -39.56 91.68 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' B' ' 33' ' ' ILE . 21.2 tt0 -67.12 -38.04 84.91 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.234 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.02 -44.1 97.43 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.5 tp -62.16 -41.4 98.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 17' ' ' THR . 6.6 m-30 -81.51 -56.31 4.11 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.481 ' N ' HD21 ' A' ' 34' ' ' ASN . 63.6 mt -62.43 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-O 119.117 -0.468 . . . . 0.0 111.933 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.482 HD21 ' N ' ' C' ' 33' ' ' ILE . 30.7 m120 -62.83 -40.16 96.55 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 123.626 0.579 . . . . 0.0 110.255 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 58.2 t80 -58.91 -47.42 85.09 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 123.545 0.528 . . . . 0.0 110.058 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -66.96 -34.59 78.1 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.834 0.709 . . . . 0.0 111.571 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 40' ' ' ILE . 60.9 mt -67.92 -71.36 0.21 Allowed 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 176.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -33.95 -43.17 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 123.965 0.906 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 29.7 mt -63.32 -47.47 82.11 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.386 0.274 . . . . 0.0 110.283 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 41' ' ' CYS . 8.2 mm -61.89 -42.93 96.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 124.097 0.873 . . . . 0.0 108.961 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.0 m -56.46 -44.66 80.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.348 0.594 . . . . 0.0 109.726 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.4 -32.12 72.81 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.776 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.07 -29.97 58.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' B' ' 47' ' ' ILE . 5.8 mp -64.71 -39.53 93.81 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.1 -43.21 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.2 m -64.92 -36.96 86.05 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.707 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' B' ' 44' ' ' LEU . 48.8 mt -62.56 -41.69 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.534 HD12 ' HG3' ' C' ' 50' ' ' MET . 23.3 mm -63.24 -42.99 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.693 0.621 . . . . 0.0 109.596 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.14 -44.46 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.515 ' HG3' HD12 ' A' ' 48' ' ' ILE . 90.2 mmm -66.41 -38.35 87.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.921 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.2 tp -61.39 -41.93 97.91 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.4 HD21 ' CE ' ' C' ' 50' ' ' MET . 35.6 mt . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.32 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.57 -38.23 86.74 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -64.72 -43.35 93.72 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.549 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.99 -44.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 124.1 0.875 . . . . 0.0 109.003 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -56.62 -48.71 76.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.494 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -63.99 -39.96 95.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.829 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.473 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.7 tm? -61.3 -42.93 99.48 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.62 0.575 . . . . 0.0 109.753 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.2 -47.35 84.86 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.71 -44.22 97.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.101 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -64.09 -39.81 94.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.883 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.71 90.77 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.418 0.449 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.51 -42.57 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.508 ' HE ' HH12 ' C' ' 14' ' ' ARG . 51.3 ttp180 -61.06 -41.88 97.44 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.03 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.508 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -70.25 -43.62 70.15 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.978 0.799 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.47 128.34 21.9 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.071 0.857 . . . . 0.0 111.222 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.537 HG23 ' CE1' ' D' ' 32' ' ' PHE . 72.4 m -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.938 0.495 . . . . 0.0 109.97 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 pt -93.07 125.73 45.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.142 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.77 139.7 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.998 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.455 ' N ' ' HD2' ' C' ' 21' ' ' PRO . 75.6 mtp -70.63 -49.45 15.26 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.01 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' C' ' 20' ' ' MET . 28.7 Cg_endo -61.73 138.65 76.03 Favored 'Trans proline' 0 N--CA 1.516 2.834 0 C-N-CA 122.088 1.859 . . . . 0.0 112.389 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.413 ' HA ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -151.38 6.79 0.49 Allowed 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.745 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.439 HE21 ' H ' ' C' ' 24' ' ' ALA . 2.0 pm0 -47.56 -24.46 0.87 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.416 1.086 . . . . 0.0 112.592 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.439 ' H ' HE21 ' C' ' 23' ' ' GLN . . . -85.62 134.64 33.99 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 123.511 0.507 . . . . 0.0 109.817 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.408 ' HA ' HH11 ' C' ' 25' ' ' ARG . 4.2 mmt-85 -65.51 -2.24 3.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 123.368 0.418 . . . . 0.0 110.922 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.78 -53.32 22.45 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' C' ' 22' ' ' GLN . 43.9 m-20 -59.98 -36.85 78.03 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.784 1.303 . . . . 0.0 111.754 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.48 -40.22 93.78 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' C' ' 33' ' ' ILE . 22.5 tt0 -67.6 -38.58 84.18 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.601 177.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.92 -43.76 98.17 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.92 -42.27 98.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.811 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' B' ' 17' ' ' THR . 6.4 m-30 -81.63 -55.91 4.35 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.482 ' N ' HD21 ' B' ' 34' ' ' ASN . 65.1 mt -62.51 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.474 HD21 ' N ' ' D' ' 33' ' ' ILE . 31.8 m120 -63.33 -41.14 98.87 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.275 0.36 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.6 t80 -57.14 -46.76 82.42 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.499 0.5 . . . . 0.0 110.535 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.873 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -49.46 70.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.315 179.127 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.712 0.633 . . . . 0.0 109.919 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.47 -43.98 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 124.145 0.903 . . . . 0.0 108.915 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.495 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.2 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -63.27 -44.17 99.04 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 73.4 m -56.98 -44.79 83.03 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.876 0.735 . . . . 0.0 110.329 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.07 -33.41 75.73 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.977 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' C' ' 43' ' ' LEU . 8.5 tp -76.21 -30.52 58.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.849 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.563 HD23 HD11 ' D' ' 47' ' ' ILE . 5.9 mp -64.75 -39.31 93.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.31 -43.14 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -64.85 -37.17 86.73 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.926 0.766 . . . . 0.0 109.659 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' C' ' 44' ' ' LEU . 48.9 mt -62.34 -41.78 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.497 HD12 ' HG3' ' D' ' 50' ' ' MET . 23.4 mm -63.59 -42.75 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.02 -44.28 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.534 ' HG3' HD12 ' B' ' 48' ' ' ILE . 90.3 mmm -66.47 -38.38 87.19 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.078 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.46 -41.8 97.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.401 HD21 ' CE ' ' D' ' 50' ' ' MET . 36.8 mt . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.219 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.52 -38.82 78.51 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.774 0.43 . . . . 0.0 109.897 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.73 -43.38 96.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.833 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.08 -45.74 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.859 0.724 . . . . 0.0 109.249 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -57.22 -47.28 81.71 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.441 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -64.14 -40.34 95.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.736 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.487 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -61.36 -42.53 98.85 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.056 0.847 . . . . 0.0 109.729 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -61.76 -47.69 84.08 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -61.61 -43.99 97.83 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.152 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.8 m -64.25 -39.89 94.88 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.936 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.91 91.1 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.448 0.467 . . . . 0.0 110.233 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.26 -42.8 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.509 ' HE ' HH12 ' D' ' 14' ' ' ARG . 51.4 ttp180 -60.7 -41.85 96.0 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.997 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.509 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -70.14 -42.91 71.92 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 123.92 0.762 . . . . 0.0 110.994 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.12 128.62 20.16 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.859 0.725 . . . . 0.0 111.203 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.557 HG23 ' CE1' ' E' ' 32' ' ' PHE . 69.9 m -58.75 -47.28 85.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.19 0.596 . . . . 0.0 109.799 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 pt -92.61 126.36 45.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.114 0.884 . . . . 0.0 109.083 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -146.82 142.35 27.6 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.314 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.437 ' N ' ' HD2' ' D' ' 21' ' ' PRO . 76.3 mtp -73.79 -50.02 5.84 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.262 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' D' ' 20' ' ' MET . 32.7 Cg_endo -63.03 141.49 83.88 Favored 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.004 1.803 . . . . 0.0 112.258 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.16 11.53 0.28 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.45 1.094 . . . . 0.0 110.217 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -50.33 -20.93 1.21 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.228 1.011 . . . . 0.0 112.151 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.46 132.75 33.9 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.904 0.752 . . . . 0.0 109.198 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -66.69 -3.1 5.82 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.67 0.606 . . . . 0.0 111.257 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.74 -52.1 34.25 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.87 -37.15 81.16 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.546 -1.661 . . . . 0.0 111.005 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.02 -39.19 91.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' D' ' 33' ' ' ILE . 24.0 tt0 -67.52 -37.76 83.24 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.086 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.01 -44.16 97.31 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -62.06 -41.79 98.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.96 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.537 ' CE1' HG23 ' C' ' 17' ' ' THR . 6.6 m-30 -81.18 -55.8 4.5 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.474 ' N ' HD21 ' C' ' 34' ' ' ASN . 61.2 mt -63.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.839 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.469 HD21 ' N ' ' E' ' 33' ' ' ILE . 31.6 m120 -63.88 -41.01 97.84 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 119.061 -0.495 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 60.4 t80 -56.87 -46.59 81.71 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.916 0.76 . . . . 0.0 110.142 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -64.52 -49.78 69.95 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.25 0.344 . . . . 0.0 110.724 178.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.32 -43.18 96.61 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.734 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.98 -43.22 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 124.252 0.97 . . . . 0.0 109.122 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 34.0 mt -61.97 -42.16 98.82 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.43 -43.67 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.1 m -57.69 -46.1 84.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.5 -37.8 88.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.655 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.28 -52.03 51.56 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.85 -0.595 . . . . 0.0 109.546 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' D' ' 47' ' ' ILE . 6.0 mp -48.82 -38.88 23.43 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.684 0.675 . . . . 0.0 110.686 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.58 -44.4 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.63 -34.15 77.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.986 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' D' ' 44' ' ' LEU . 80.2 mt -62.62 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.496 HD12 ' HG3' ' E' ' 50' ' ' MET . 23.2 mm -63.35 -42.47 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.86 -43.9 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.497 ' HG3' HD12 ' C' ' 48' ' ' ILE . 90.2 mmm -66.27 -38.69 88.39 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.88 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.69 -41.77 98.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.406 HD21 ' CE ' ' E' ' 50' ' ' MET . 36.5 mt . . . . . 0 CA--C 1.543 0.708 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.261 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.76 -38.45 81.82 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.25 -43.54 94.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.835 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.81 -45.91 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 124.157 0.91 . . . . 0.0 109.087 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.19 -47.14 81.98 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.588 1.18 . . . . 0.0 109.176 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.53 -40.17 95.12 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.87 0.731 . . . . 0.0 109.839 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.503 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.9 tm? -60.98 -42.52 98.52 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.636 0.585 . . . . 0.0 109.975 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -62.15 -47.58 83.93 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -61.79 -43.89 97.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.931 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -39.8 94.63 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.016 0.823 . . . . 0.0 110.829 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.01 -41.65 90.75 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.42 0.45 . . . . 0.0 110.123 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.38 -42.9 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.503 ' HE ' HH12 ' E' ' 14' ' ' ARG . 51.4 ttp180 -60.57 -41.86 95.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.969 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.503 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -70.23 -42.88 71.68 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.839 0.712 . . . . 0.0 111.082 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.84 128.47 20.29 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 123.847 0.717 . . . . 0.0 111.299 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 32' ' ' PHE . 72.3 m -58.24 -47.24 84.16 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 123.005 0.522 . . . . 0.0 110.012 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 pt -92.25 126.13 44.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.309 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -146.83 142.88 28.16 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.381 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.44 ' N ' ' HD2' ' E' ' 21' ' ' PRO . 75.2 mtp -73.88 -50.2 5.62 Favored Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.438 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' E' ' 20' ' ' MET . 33.8 Cg_endo -63.07 141.2 82.44 Favored 'Trans proline' 0 N--CA 1.51 2.458 0 C-N-CA 122.121 1.88 . . . . 0.0 112.155 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.97 10.22 0.27 Allowed 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.13 0.893 . . . . 0.0 110.709 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -48.22 -23.17 0.8 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.663 1.185 . . . . 0.0 112.79 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.74 134.75 33.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 123.081 0.552 . . . . 0.0 109.536 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.42 HH11 ' HA ' ' E' ' 25' ' ' ARG . 4.5 mmt-85 -65.32 -3.69 4.43 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.283 0.563 . . . . 0.0 111.597 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.34 -52.93 27.86 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -61.15 -37.29 82.34 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.243 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.73 -39.92 93.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.429 ' HG2' HD12 ' E' ' 33' ' ' ILE . 21.4 tt0 -66.43 -37.93 86.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.026 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.2 -44.5 96.45 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -61.48 -41.92 98.0 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.94 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' D' ' 17' ' ' THR . 7.4 m-30 -81.56 -55.97 4.33 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.469 ' N ' HD21 ' D' ' 34' ' ' ASN . 64.0 mt -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.711 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.483 HD21 ' N ' ' A' ' 33' ' ' ILE . 31.0 m120 -63.23 -40.94 98.88 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.621 0.576 . . . . 0.0 110.518 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -57.65 -46.01 84.74 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.218 0.324 . . . . 0.0 110.644 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.45 -49.2 72.4 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 123.583 0.552 . . . . 0.0 110.595 178.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.07 -42.41 98.45 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.625 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.58 -44.51 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 35.2 mt -61.96 -42.22 98.87 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.215 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mm -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.07 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 70.8 m -58.59 -45.09 89.84 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.07 -38.39 90.91 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 124.363 1.039 . . . . 0.0 109.53 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.16 -51.35 61.68 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.672 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.7 mp -49.75 -38.91 35.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 118.503 0.592 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.84 -44.33 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.33 -34.2 77.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.153 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.9 mt -62.53 -41.56 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.531 HD12 ' HG3' ' A' ' 50' ' ' MET . 22.6 mm -63.35 -42.47 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.13 -43.92 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.781 0.676 . . . . 0.0 109.298 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.496 ' HG3' HD12 ' D' ' 48' ' ' ILE . 90.0 mmm -66.38 -38.65 88.03 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.942 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.64 -41.85 98.08 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.414 HD21 ' CE ' ' A' ' 50' ' ' MET . 34.8 mt . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.289 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.85 -36.41 81.14 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.42 -41.82 93.14 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 124.406 1.066 . . . . 0.0 109.618 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.01 -44.61 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.97 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.46 -40.85 93.69 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.675 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.87 -40.58 93.53 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 124.026 0.828 . . . . 0.0 109.208 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.85 -43.77 98.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 m -62.7 -45.99 90.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.442 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -62.39 -42.38 99.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.294 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.19 -40.82 98.59 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.938 0.774 . . . . 0.0 110.424 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.85 91.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.8 ttp180 -58.41 -41.53 85.17 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.604 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -70.58 -41.34 72.51 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.754 0.659 . . . . 0.0 109.755 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.26 19.11 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.346 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -173.61 68.73 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 O-C-N 124.067 0.854 . . . . 0.0 109.548 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 14' ' ' ARG . 1.1 pt -78.27 111.6 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -113.98 125.37 53.94 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.467 ' H ' HE21 ' A' ' 22' ' ' GLN . 0.9 OUTLIER -99.05 171.53 5.62 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.338 178.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.45 -8.74 4.19 Favored 'Trans proline' 0 N--CA 1.515 2.79 0 C-N-CA 121.803 1.669 . . . . 0.0 111.979 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.467 HE21 ' H ' ' A' ' 20' ' ' MET . 29.7 pt20 -51.44 -27.29 9.89 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.268 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.99 -36.19 60.11 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 26' ' ' GLN . . . -67.44 -27.54 67.13 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 79.19 -31.49 0.14 Allowed 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 123.956 0.902 . . . . 0.0 108.865 -175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 24' ' ' ALA . 84.7 mt-30 -60.49 -38.54 84.6 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -68.36 -32.0 71.79 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.026 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.26 -39.73 83.77 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG2' HD12 ' A' ' 33' ' ' ILE . 56.0 tt0 -59.54 -36.89 77.03 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.699 0.625 . . . . 0.0 110.518 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.82 -45.47 89.9 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.679 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.68 -45.96 92.19 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.475 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.85 -52.65 41.07 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 123.892 0.745 . . . . 0.0 112.61 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' A' ' 29' ' ' GLN . 84.3 mt -64.23 -45.53 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 122.947 0.154 . . . . 0.0 110.95 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.93 -42.79 99.92 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 39' ' ' LEU . 66.4 t80 -59.02 -48.23 82.33 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.727 0.642 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.74 -33.79 76.68 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.689 0.618 . . . . 0.0 111.731 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ILE . 45.1 mt -67.56 -69.12 0.33 Allowed 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.6 mt -33.14 -41.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 124.926 1.391 . . . . 0.0 110.369 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 35' ' ' PHE . 34.0 mt -62.98 -45.09 94.09 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.654 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.739 HD11 ' SG ' ' E' ' 41' ' ' CYS . 9.2 mm -62.77 -42.72 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 35.5 m -54.69 -49.47 70.59 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.189 0.93 . . . . 0.0 109.023 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.7 -37.9 87.74 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.683 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.63 -27.9 58.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.702 0.401 . . . . 0.0 111.522 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD11 HG23 ' B' ' 40' ' ' ILE . 10.6 mt -70.11 -37.9 75.47 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 49' ' ' VAL . 71.2 mt -63.27 -42.17 95.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.74 -38.67 88.79 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.53 0.519 . . . . 0.0 109.916 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 44' ' ' LEU . 59.5 mt -64.9 -43.68 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.26 -44.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 45' ' ' ILE . 43.1 t -61.43 -42.04 92.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 123.828 0.705 . . . . 0.0 109.486 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mmm -60.05 -50.58 73.15 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.85 -41.16 90.83 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.231 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.548 0.901 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.269 177.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.95 -35.88 79.77 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.588 0.555 . . . . 0.0 109.756 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -65.85 -41.71 91.38 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 124.445 1.091 . . . . 0.0 109.594 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.97 -44.41 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.105 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.02 -40.78 91.36 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 123.967 0.792 . . . . 0.0 109.469 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.83 -40.49 92.95 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.744 0.652 . . . . 0.0 109.288 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -43.83 98.06 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -62.7 -46.0 90.18 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.359 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.48 -42.44 99.49 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.261 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -62.95 -40.67 98.36 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.915 0.759 . . . . 0.0 110.359 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.6 92.02 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.575 0.547 . . . . 0.0 109.743 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.77 -42.7 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.182 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.8 ttp180 -58.27 -41.8 85.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.518 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -70.47 -41.54 72.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.946 0.779 . . . . 0.0 109.618 178.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -7.4 18.11 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.345 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -173.61 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.165 0.916 . . . . 0.0 109.543 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.401 HG23 ' O ' ' B' ' 14' ' ' ARG . 1.1 pt -77.8 111.85 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -113.98 125.41 53.98 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.922 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.455 ' H ' HE21 ' B' ' 22' ' ' GLN . 0.9 OUTLIER -99.24 171.58 5.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.135 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.74 -8.51 4.39 Favored 'Trans proline' 0 N--CA 1.515 2.771 0 C-N-CA 121.795 1.664 . . . . 0.0 112.207 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.455 HE21 ' H ' ' B' ' 20' ' ' MET . 29.7 pt20 -51.74 -27.14 11.07 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.364 1.466 . . . . 0.0 113.471 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -52.6 -35.87 55.12 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 26' ' ' GLN . . . -67.03 -29.65 69.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 81.19 -32.12 0.11 Allowed 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 124.338 1.055 . . . . 0.0 108.763 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 24' ' ' ALA . 84.4 mt-30 -59.59 -39.37 83.94 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -68.61 -31.39 70.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.514 -1.676 . . . . 0.0 111.781 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.35 -39.93 84.78 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' B' ' 33' ' ' ILE . 56.0 tt0 -59.74 -36.69 77.11 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.441 0.463 . . . . 0.0 110.708 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.72 -45.07 90.4 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.075 0.86 . . . . 0.0 109.706 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.94 -46.29 91.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.704 0.627 . . . . 0.0 111.652 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.82 -52.23 46.26 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' B' ' 29' ' ' GLN . 79.4 mt -64.34 -45.25 96.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 123.533 0.521 . . . . 0.0 110.848 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.26 -41.41 96.96 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 123.334 0.396 . . . . 0.0 110.663 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 65.0 t80 -57.51 -47.94 80.61 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 111.028 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -62.97 -51.79 65.49 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.713 0.633 . . . . 0.0 109.858 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.52 -43.13 79.51 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.334 1.021 . . . . 0.0 110.872 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.72 -42.24 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 125.562 1.788 . . . . 0.0 108.474 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 58.2 mt -64.24 -41.31 97.05 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.627 HG23 HD11 ' A' ' 44' ' ' LEU . 31.6 mm -62.1 -44.01 98.47 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 64.5 m -56.41 -50.82 70.51 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.936 0.773 . . . . 0.0 109.404 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.36 -39.12 93.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.684 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 44' ' ' LEU . 13.0 tp -75.41 -28.11 59.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.619 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.493 HD11 HG23 ' C' ' 40' ' ' ILE . 8.4 mt -69.92 -37.69 76.0 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.407 ' O ' HG23 ' B' ' 49' ' ' VAL . 71.2 mt -63.24 -42.04 94.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -61.52 -38.62 88.05 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.509 0.506 . . . . 0.0 110.067 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 44' ' ' LEU . 60.6 mt -64.88 -43.45 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.405 HD11 HG13 ' C' ' 47' ' ' ILE . 8.8 mm -64.27 -44.46 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 45' ' ' ILE . 44.3 t -61.2 -42.23 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.882 0.739 . . . . 0.0 109.647 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 11.5 mmm -60.01 -50.77 72.42 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 56.7 mt -59.55 -41.12 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.859 0.724 . . . . 0.0 110.032 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.21 178.202 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.2 -36.38 81.76 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.62 -41.87 92.22 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 124.222 0.952 . . . . 0.0 109.396 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.24 -43.8 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.911 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.88 -42.21 94.99 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 124.087 0.867 . . . . 0.0 109.916 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.66 -40.41 91.97 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.761 0.663 . . . . 0.0 109.332 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.406 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.6 OUTLIER -61.7 -44.06 97.66 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.019 0.824 . . . . 0.0 108.911 179.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -62.93 -46.06 89.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.45 -42.36 99.41 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.445 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.819 0.699 . . . . 0.0 110.261 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.68 91.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.607 0.567 . . . . 0.0 109.723 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -42.82 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.161 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -58.41 -41.51 85.1 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.668 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -70.64 -41.13 72.58 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.818 0.699 . . . . 0.0 109.813 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.45 -7.3 18.63 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.5 t -173.53 67.93 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.31 1.006 . . . . 0.0 109.583 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.403 HG23 ' O ' ' C' ' 14' ' ' ARG . 1.1 pt -77.56 111.77 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -113.98 125.65 54.26 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.889 0.743 . . . . 0.0 110.826 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.445 ' H ' HE21 ' C' ' 22' ' ' GLN . 1.0 OUTLIER -99.72 171.4 5.66 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.343 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.39 -8.61 3.98 Favored 'Trans proline' 0 N--CA 1.519 3.012 0 C-N-CA 121.959 1.773 . . . . 0.0 112.095 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.445 HE21 ' H ' ' C' ' 20' ' ' MET . 29.6 pt20 -51.75 -28.07 14.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.306 1.443 . . . . 0.0 113.461 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -52.72 -35.11 55.25 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' C' ' 26' ' ' GLN . . . -67.93 -27.23 66.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 79.12 -32.55 0.15 Allowed 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 123.931 0.892 . . . . 0.0 109.528 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' C' ' 24' ' ' ALA . 84.0 mt-30 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.94 -30.91 69.46 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.915 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -39.69 85.03 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.96 -37.12 78.65 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 123.496 0.498 . . . . 0.0 110.379 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.69 -45.3 89.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.919 0.762 . . . . 0.0 109.655 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.83 -45.83 92.92 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 123.839 0.712 . . . . 0.0 111.203 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -67.01 -52.86 37.29 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.96 -45.56 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.596 0.56 . . . . 0.0 110.461 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -64.19 -41.18 97.2 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 123.732 0.645 . . . . 0.0 110.531 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 65.6 t80 -57.38 -47.04 82.71 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 123.718 0.636 . . . . 0.0 111.276 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -62.64 -54.51 38.38 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.519 0.512 . . . . 0.0 109.715 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.85 -42.66 72.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.866 0.729 . . . . 0.0 110.578 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.08 -43.05 80.58 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 59.5 mt -63.67 -42.27 98.07 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.62 HG22 ' CD1' ' C' ' 44' ' ' LEU . 36.8 mm -59.29 -48.03 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 61.7 m -54.7 -48.66 72.17 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.016 0.526 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.78 -36.29 83.4 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.872 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 44' ' ' LEU . 9.3 tp -76.33 -30.12 57.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.39 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.663 HD13 HD12 ' D' ' 40' ' ' ILE . 2.3 mp -68.88 -36.83 78.55 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.411 ' O ' HG23 ' C' ' 49' ' ' VAL . 72.4 mt -63.24 -42.57 96.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.95 -38.99 90.59 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 123.804 0.69 . . . . 0.0 110.138 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' C' ' 44' ' ' LEU . 59.6 mt -64.51 -43.51 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.41 HD11 ' CG1' ' D' ' 47' ' ' ILE . 8.5 mm -64.31 -44.13 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.617 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.411 HG23 ' O ' ' C' ' 45' ' ' ILE . 42.9 t -61.28 -42.1 92.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 124.028 0.83 . . . . 0.0 109.187 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 12.3 mmm -60.01 -50.93 71.79 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.24 -41.61 89.13 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 CA--C 1.546 0.81 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.275 178.062 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.29 -36.56 80.4 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -65.74 -41.56 92.04 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.235 0.959 . . . . 0.0 109.335 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.36 -43.99 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.24 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -66.17 -40.61 90.64 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 124.052 0.845 . . . . 0.0 109.476 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -61.03 -40.3 93.06 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.757 0.661 . . . . 0.0 109.448 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.406 ' O ' HD13 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.08 -43.41 98.9 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.4 m -62.99 -46.06 89.49 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.425 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.52 -42.24 99.39 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.255 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -63.16 -40.74 98.41 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.977 0.798 . . . . 0.0 110.39 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.49 92.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.722 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.78 -42.76 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.122 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.47 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.9 ttp180 -58.3 -41.6 84.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.623 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.47 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.55 -41.32 72.61 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.904 0.753 . . . . 0.0 109.608 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.44 -7.4 19.25 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.282 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -173.68 68.62 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.083 0.864 . . . . 0.0 109.619 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.408 HG23 ' O ' ' D' ' 14' ' ' ARG . 1.1 pt -77.85 111.31 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -113.68 125.51 54.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.005 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.433 ' H ' HE21 ' D' ' 22' ' ' GLN . 1.0 OUTLIER -99.58 171.86 5.22 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.296 178.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.92 -8.43 4.57 Favored 'Trans proline' 0 N--CA 1.518 2.932 0 C-N-CA 121.914 1.743 . . . . 0.0 111.942 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.433 HE21 ' H ' ' D' ' 20' ' ' MET . 29.7 pt20 -51.7 -27.17 10.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.109 1.364 . . . . 0.0 113.333 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -53.46 -35.93 61.06 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' D' ' 26' ' ' GLN . . . -67.24 -27.9 67.61 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 79.58 -32.71 0.14 Allowed 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 123.821 0.848 . . . . 0.0 109.108 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' D' ' 24' ' ' ALA . 82.6 mt-30 -59.61 -38.33 81.0 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 175.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.02 -32.05 71.3 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.474 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.04 -39.32 81.62 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.33 -37.32 77.51 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.39 0.431 . . . . 0.0 110.776 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.893 0.745 . . . . 0.0 110.12 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.68 -45.36 94.44 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -66.92 -53.02 36.11 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.06 -45.31 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 123.568 0.543 . . . . 0.0 110.788 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -63.31 -42.17 98.99 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 123.326 0.392 . . . . 0.0 110.568 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.72 -47.43 82.42 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.597 0.561 . . . . 0.0 111.257 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.871 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -62.88 -51.36 67.26 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 53.3 mt -58.07 -42.95 86.63 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.755 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -57.01 -41.78 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 125.186 1.554 . . . . 0.0 108.462 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 123.912 0.757 . . . . 0.0 110.082 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.663 HD12 HD13 ' C' ' 44' ' ' LEU . 34.3 mm -63.56 -43.82 98.41 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 61.0 m -54.83 -49.97 69.75 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.83 -41.53 97.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.467 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.7 -51.21 61.14 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.614 HD11 HG23 ' E' ' 40' ' ' ILE . 13.3 mt -50.74 -37.34 41.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.727 0.411 . . . . 0.0 110.638 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.479 ' O ' HG23 ' D' ' 49' ' ' VAL . 70.3 mt -64.18 -43.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.33 -36.41 84.03 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' D' ' 44' ' ' LEU . 75.9 mt -64.28 -43.63 97.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mm -65.07 -43.75 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.31 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 45' ' ' ILE . 48.9 t -61.2 -41.75 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.455 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 11.4 mmm -59.44 -51.16 71.08 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.71 -40.77 89.05 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.601 0.563 . . . . 0.0 110.123 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.616 178.118 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.04 -36.46 81.67 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -65.41 -41.54 93.5 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.398 1.061 . . . . 0.0 109.582 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.9 -44.8 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.51 -40.77 93.38 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.575 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.09 -40.34 93.35 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.953 0.783 . . . . 0.0 109.275 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.411 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.76 -43.87 98.01 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -62.88 -46.1 89.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.402 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.35 -42.22 99.22 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.402 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.27 -40.62 97.9 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.918 0.761 . . . . 0.0 110.428 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.7 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.5 -42.84 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.332 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.465 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.8 ttp180 -58.21 -41.75 84.7 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.606 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.465 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.32 -41.32 73.41 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.863 0.727 . . . . 0.0 109.91 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -7.53 19.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.35 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -173.49 68.19 0.03 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.002 0.814 . . . . 0.0 109.672 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.411 HG23 ' O ' ' E' ' 14' ' ' ARG . 1.1 pt -77.83 111.96 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -114.15 125.02 53.48 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.048 0.843 . . . . 0.0 110.869 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.461 ' H ' HE21 ' E' ' 22' ' ' GLN . 1.0 OUTLIER -98.79 171.7 5.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.411 178.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.39 -8.88 4.23 Favored 'Trans proline' 0 N--CA 1.515 2.778 0 C-N-CA 122.105 1.87 . . . . 0.0 111.952 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.461 HE21 ' H ' ' E' ' 20' ' ' MET . 29.7 pt20 -51.46 -27.44 10.4 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.184 1.394 . . . . 0.0 112.921 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -53.59 -35.16 60.56 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.271 0.357 . . . . 0.0 111.521 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' E' ' 26' ' ' GLN . . . -67.93 -27.44 66.63 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 79.5 -32.61 0.14 Allowed 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.94 0.896 . . . . 0.0 109.039 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' E' ' 24' ' ' ALA . 83.0 mt-30 -59.71 -38.48 81.76 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.43 -31.86 71.48 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.691 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.22 -39.68 83.48 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.04 -37.27 79.31 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 123.821 0.701 . . . . 0.0 110.4 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.26 -45.32 88.02 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.721 0.638 . . . . 0.0 109.946 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.89 -46.11 91.92 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.24 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -66.43 -52.41 46.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.32 -45.37 96.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 123.633 0.583 . . . . 0.0 110.806 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.92 -42.11 97.47 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 0.0 109.916 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 69.0 t80 -57.31 -47.08 82.44 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.519 0.512 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 1.1 t -61.11 -58.3 8.92 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' E' ' 40' ' ' ILE . 54.1 mt -46.12 -70.46 0.1 Allowed 'General case' 0 C--O 1.195 -1.807 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -32.32 -44.47 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 124.047 0.842 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 57.8 mt -64.83 -43.29 93.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 117.703 0.229 . . . . 0.0 110.754 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.614 HG23 HD11 ' D' ' 44' ' ' LEU . 22.4 mm -59.62 -45.08 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.867 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 20.8 m -57.08 -49.54 75.55 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.136 0.898 . . . . 0.0 109.267 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.18 -40.63 98.06 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.362 1.039 . . . . 0.0 110.821 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' D' ' 44' ' ' LEU . 4.7 tp -65.49 -51.55 59.24 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.629 ' CD1' HG23 ' A' ' 40' ' ' ILE . 9.4 mt -52.8 -36.49 58.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.656 0.383 . . . . 0.0 110.236 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.459 ' O ' HG23 ' E' ' 49' ' ' VAL . 69.1 mt -64.13 -43.25 97.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.4 m -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.369 0.418 . . . . 0.0 109.91 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' E' ' 44' ' ' LEU . 79.0 mt -64.56 -43.72 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.408 HD11 HG13 ' A' ' 47' ' ' ILE . 8.8 mm -64.37 -43.66 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.029 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.459 HG23 ' O ' ' E' ' 45' ' ' ILE . 53.3 t -61.24 -42.08 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 123.86 0.725 . . . . 0.0 109.585 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 12.0 mmm -59.91 -50.88 72.05 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.33 -41.21 88.61 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 123.519 0.512 . . . . 0.0 110.063 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.373 178.333 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.39 -35.96 70.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.259 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.7 -42.43 97.97 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 124.337 1.023 . . . . 0.0 109.67 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -64.84 -44.14 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 123.958 0.786 . . . . 0.0 109.009 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -59.82 -44.98 93.75 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.294 0.996 . . . . 0.0 109.277 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.79 -40.77 98.36 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.498 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -61.72 -42.72 99.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.32 -46.12 90.17 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.893 0.746 . . . . 0.0 109.287 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -62.54 -41.81 99.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.849 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -64.71 -39.57 93.89 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.77 94.49 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.8 -42.64 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.701 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.3 ttp180 -59.92 -41.96 92.9 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.258 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.474 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -64.69 -45.12 87.99 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.845 0.716 . . . . 0.0 109.651 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -24.97 68.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.644 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -66.34 -34.68 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.272 0.358 . . . . 0.0 110.819 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -95.99 128.0 47.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 123.764 0.665 . . . . 0.0 109.787 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.84 164.4 12.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.129 0.893 . . . . 0.0 110.822 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.12 125.41 62.26 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.493 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.09 54.46 4.63 Favored 'Trans proline' 0 N--CA 1.516 2.796 0 C-N-CA 123.105 2.537 . . . . 0.0 110.794 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.0 pt20 -159.46 67.81 0.41 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.165 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.52 ' H ' HD22 ' A' ' 27' ' ' ASN . 3.5 mm-40 -72.37 -73.38 0.2 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.847 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.92 171.37 13.94 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.156 0.285 . . . . 0.0 111.025 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 28' ' ' LEU . 34.9 ptt-85 -64.14 -18.58 64.58 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.922 0.764 . . . . 0.0 110.943 177.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.537 HE21 HH21 ' B' ' 25' ' ' ARG . 37.2 mt-30 -84.13 -45.32 13.12 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.937 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.52 HD22 ' H ' ' A' ' 23' ' ' GLN . 7.9 t30 -65.31 -35.21 80.3 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.073 176.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD23 ' HB2' ' A' ' 22' ' ' GLN . 7.3 mt -61.97 -42.77 99.5 Favored 'General case' 0 C--N 1.344 0.359 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.98 -37.53 87.95 Favored 'General case' 0 C--O 1.221 -0.396 0 O-C-N 123.892 0.745 . . . . 0.0 111.374 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.35 -48.69 80.69 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.23 -41.46 99.1 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.577 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.98 -64.02 0.99 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.635 HG23 HD11 ' E' ' 37' ' ' LEU . 63.3 mt -61.83 -47.39 93.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.892 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -60.79 -41.32 95.38 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 36.9 t80 -58.65 -45.11 90.04 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.469 0.481 . . . . 0.0 109.928 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -66.3 -39.17 89.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 112.335 178.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' CD1' HG23 ' B' ' 33' ' ' ILE . 37.6 mt -67.83 -45.53 74.41 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 122.257 1.027 . . . . 0.0 109.437 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.88 -43.98 89.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-N 113.462 -1.699 . . . . 0.0 109.196 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.7 mt -60.93 -46.25 91.42 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 124.117 0.886 . . . . 0.0 109.143 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG23 HD13 ' E' ' 44' ' ' LEU . 66.2 mt -66.01 -41.47 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 124.091 0.869 . . . . 0.0 110.667 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.2 m -55.99 -48.59 75.59 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.18 -38.09 89.81 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.058 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.43 -28.33 61.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 122.904 0.482 . . . . 0.0 111.201 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' A' ' 47' ' ' ILE . 9.4 mt -68.22 -38.2 81.64 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.33 -42.55 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.32 -35.21 79.61 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 44' ' ' LEU . 40.8 mt -62.55 -41.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.49 HD12 ' HG3' ' B' ' 50' ' ' MET . 28.9 mm -64.09 -42.41 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.6 -43.11 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.485 ' HG3' HD12 ' E' ' 48' ' ' ILE . 86.0 mmm -66.34 -37.04 84.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.042 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.81 -42.45 99.03 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.938 177.204 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.42 -35.44 70.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.893 0.378 . . . . 0.0 110.154 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.08 -42.68 96.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.537 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.54 -43.21 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 124.018 0.824 . . . . 0.0 109.331 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.344 0.329 0 O-C-N 124.328 1.017 . . . . 0.0 108.995 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -63.0 -41.06 99.48 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.0 OUTLIER -61.73 -43.13 99.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -62.58 -45.53 92.48 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.71 -41.88 99.37 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.878 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.54 -39.48 93.85 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.284 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.78 94.37 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.65 -42.73 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.692 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.4 ttp180 -59.83 -42.04 92.65 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.233 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -64.68 -45.04 88.38 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.841 0.713 . . . . 0.0 109.571 178.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.07 -24.95 68.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.581 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.9 p -66.2 -34.74 78.71 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.375 0.422 . . . . 0.0 110.888 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -96.02 128.66 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 123.978 0.799 . . . . 0.0 109.609 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.37 164.21 12.52 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.022 0.826 . . . . 0.0 110.772 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 126.18 60.23 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.377 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.58 54.67 4.86 Favored 'Trans proline' 0 N--CA 1.518 2.94 0 C-N-CA 123.133 2.556 . . . . 0.0 111.14 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.551 ' HB2' HD23 ' B' ' 28' ' ' LEU . 2.1 pt20 -159.6 68.33 0.41 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.124 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.516 ' H ' HD22 ' B' ' 27' ' ' ASN . 4.0 mm-40 -72.8 -73.48 0.2 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.615 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.28 171.48 12.68 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.913 0.485 . . . . 0.0 110.96 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.537 HH21 HE21 ' A' ' 26' ' ' GLN . 35.7 ptt-85 -62.62 -18.03 61.43 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.336 1.065 . . . . 0.0 110.582 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.408 HE21 HE22 ' A' ' 26' ' ' GLN . 81.2 mt-30 -82.37 -51.43 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.674 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.516 HD22 ' H ' ' B' ' 23' ' ' GLN . 9.2 t30 -63.08 -34.06 76.78 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.91 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' B' ' 22' ' ' GLN . 8.4 mt -61.95 -43.51 98.69 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -66.22 -37.08 84.68 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 123.711 0.632 . . . . 0.0 111.247 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.01 -48.27 82.21 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.02 -41.29 97.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.553 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -71.05 -64.0 0.99 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 37' ' ' LEU . 59.5 mt -61.52 -47.68 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.02 -41.64 96.94 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.831 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' B' ' 39' ' ' LEU . 38.1 t80 -59.17 -44.65 92.15 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.588 0.555 . . . . 0.0 109.657 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -66.59 -38.96 88.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 123.638 0.586 . . . . 0.0 111.766 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' C' ' 33' ' ' ILE . 24.1 mt -68.51 -46.44 69.6 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.715 0.769 . . . . 0.0 109.192 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.37 -43.01 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 113.021 -1.899 . . . . 0.0 109.114 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' B' ' 35' ' ' PHE . 19.8 mt -62.11 -44.24 97.09 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' A' ' 44' ' ' LEU . 63.0 mt -66.97 -41.73 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.304 1.002 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.9 m -56.05 -47.74 77.34 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.89 -38.11 89.87 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.941 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.08 -27.23 60.8 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.833 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.654 ' HA ' HD12 ' B' ' 47' ' ' ILE . 7.9 mt -69.48 -37.78 77.39 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.82 -42.49 96.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.64 -35.16 79.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.473 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' B' ' 44' ' ' LEU . 42.1 mt -62.95 -41.65 93.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' C' ' 50' ' ' MET . 29.3 mm -63.73 -42.5 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 123.47 0.481 . . . . 0.0 109.85 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -43.16 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.49 ' HG3' HD12 ' A' ' 48' ' ' ILE . 85.5 mmm -66.11 -37.53 85.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.9 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.421 ' C ' HD23 ' B' ' 51' ' ' LEU . 9.6 tt -61.62 -42.48 98.95 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.091 177.252 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -57.2 -35.96 70.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.86 -42.27 97.57 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.144 0.903 . . . . 0.0 109.598 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 50.8 t -64.75 -43.33 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -61.08 -44.71 96.96 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.05 0.843 . . . . 0.0 109.102 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -62.89 -41.3 99.38 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.457 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.458 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.0 OUTLIER -61.58 -43.04 99.6 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.98 0.8 . . . . 0.0 109.295 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.5 m -63.03 -45.24 93.22 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.73 -41.72 99.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.075 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.61 -39.3 93.47 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.05 93.19 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.37 -42.84 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.772 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.7 ttp180 -59.88 -41.9 92.59 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.183 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -64.67 -45.16 87.88 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 178.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.11 -24.83 68.08 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.591 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 24.4 p -66.1 -34.75 78.77 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.337 0.398 . . . . 0.0 110.866 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -95.87 128.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 O-C-N 123.913 0.758 . . . . 0.0 109.656 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 164.34 12.36 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.081 0.863 . . . . 0.0 110.863 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 126.05 60.64 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.614 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.54 54.83 4.91 Favored 'Trans proline' 0 N--CA 1.515 2.741 0 C-N-CA 123.19 2.593 . . . . 0.0 111.172 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.541 ' HB2' HD23 ' C' ' 28' ' ' LEU . 2.1 pt20 -159.79 68.14 0.39 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.05 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.511 ' H ' HD22 ' C' ' 27' ' ' ASN . 3.5 mm-40 -72.01 -73.99 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.926 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.55 171.54 13.25 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.499 0.499 . . . . 0.0 111.255 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' C' ' 28' ' ' LEU . 34.3 ptt-85 -63.93 -17.21 63.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.126 0.891 . . . . 0.0 110.458 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -82.66 -50.28 8.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.429 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.511 HD22 ' H ' ' C' ' 23' ' ' GLN . 9.3 t30 -62.79 -35.17 78.98 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.005 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' C' ' 22' ' ' GLN . 8.1 mt -61.15 -43.94 98.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -65.45 -36.67 84.59 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 124.075 0.86 . . . . 0.0 111.638 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.21 -48.71 80.61 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.38 -41.38 98.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.317 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.91 -62.9 1.22 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.9 mt -62.97 -46.44 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.405 -176.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -60.8 -41.71 96.16 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.416 0.553 . . . . 0.0 110.154 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 39.0 t80 -58.74 -44.94 90.65 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.809 0.693 . . . . 0.0 109.138 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.33 -52.78 62.3 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.697 0.623 . . . . 0.0 109.953 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.648 HD11 HG23 ' D' ' 33' ' ' ILE . 18.1 mt -52.93 -74.46 0.04 OUTLIER 'General case' 0 C--O 1.194 -1.837 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -33.37 -45.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 125.365 1.666 . . . . 0.0 110.835 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.0 mt -62.22 -47.1 85.94 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-O 121.215 0.531 . . . . 0.0 110.731 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.588 HG23 HD13 ' B' ' 44' ' ' LEU . 62.1 mt -64.23 -42.02 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.902 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 56.2 m -55.05 -48.99 72.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.33 -38.18 90.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.43 -27.0 61.19 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.604 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' C' ' 47' ' ' ILE . 8.1 mt -70.09 -37.65 75.47 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.03 -42.36 95.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -63.19 -35.36 80.04 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' C' ' 44' ' ' LEU . 41.5 mt -62.74 -41.57 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.556 HD11 HG12 ' D' ' 47' ' ' ILE . 28.2 mm -64.12 -42.2 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 123.662 0.601 . . . . 0.0 109.694 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.49 -43.15 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.485 ' HG3' HD12 ' B' ' 48' ' ' ILE . 85.4 mmm -66.41 -37.03 84.31 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.058 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.421 ' C ' HD23 ' C' ' 51' ' ' LEU . 9.6 tt -61.77 -42.78 99.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 CA--C 1.542 0.653 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.127 177.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.76 -35.46 72.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.24 -42.4 96.55 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.324 1.015 . . . . 0.0 109.527 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.88 -43.42 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.22 -45.28 93.77 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.114 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -63.24 -40.97 98.94 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.67 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.0 OUTLIER -61.7 -42.93 99.6 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -62.87 -45.67 91.45 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -62.52 -41.78 99.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.774 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.0 m -64.82 -39.56 93.78 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.092 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.9 94.59 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.53 -42.83 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.82 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.6 ttp180 -59.83 -41.94 92.46 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.198 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -64.72 -45.2 87.55 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 123.81 0.694 . . . . 0.0 109.622 178.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -24.89 68.12 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.583 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p -66.24 -34.72 78.64 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.312 0.383 . . . . 0.0 110.824 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 50.3 mm -95.97 128.3 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 123.935 0.772 . . . . 0.0 109.608 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.06 164.27 12.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.121 0.888 . . . . 0.0 110.868 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.73 126.26 60.25 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.558 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.85 54.94 5.05 Favored 'Trans proline' 0 N--CA 1.509 2.416 0 C-N-CA 123.11 2.54 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.542 ' HB2' HD23 ' D' ' 28' ' ' LEU . 2.0 pt20 -159.96 68.07 0.38 Allowed 'General case' 0 C--O 1.247 0.971 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.919 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . 0.528 ' H ' HD22 ' D' ' 27' ' ' ASN . 3.8 mm-40 -72.37 -73.42 0.2 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.8 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.82 170.86 13.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.604 0.565 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.469 ' HA ' HD12 ' D' ' 28' ' ' LEU . 35.7 ptt-85 -63.86 -16.33 61.09 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.542 0.687 . . . . 0.0 110.616 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.94 -50.36 8.66 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 114.648 -1.16 . . . . 0.0 107.941 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.528 HD22 ' H ' ' D' ' 23' ' ' GLN . 9.9 t30 -63.53 -35.35 80.2 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.947 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' D' ' 22' ' ' GLN . 8.3 mt -61.39 -43.57 98.64 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.21 -37.59 87.77 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 123.899 0.749 . . . . 0.0 111.132 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.63 -48.38 81.9 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.65 -41.32 98.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.507 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.19 -62.96 1.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.648 HG23 HD11 ' C' ' 37' ' ' LEU . 61.9 mt -62.63 -46.7 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.561 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -61.44 -41.36 97.07 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.85 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 38.2 t80 -58.71 -44.68 90.46 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.6 -51.05 66.97 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.911 0.757 . . . . 0.0 110.633 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' E' ' 33' ' ' ILE . 32.9 mt -58.62 -44.76 90.07 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.103 0.477 . . . . 0.0 110.328 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.05 -43.08 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.887 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 27.6 mt -61.08 -44.03 97.99 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.563 HG23 HD13 ' C' ' 44' ' ' LEU . 60.9 mt -67.21 -42.44 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.738 0.649 . . . . 0.0 109.812 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.0 m -55.94 -48.12 76.32 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.56 -40.4 96.88 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.765 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.08 -51.46 63.95 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' D' ' 47' ' ' ILE . 10.6 mt -50.68 -38.57 47.56 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.226 0.61 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.62 -43.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.38 -31.97 73.35 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.883 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.0 mt -63.12 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.567 HD11 HG12 ' E' ' 47' ' ' ILE . 28.4 mm -63.96 -42.1 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.09 -42.93 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.489 ' HG3' HD12 ' C' ' 48' ' ' ILE . 85.7 mmm -66.25 -37.25 85.04 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.906 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.42 ' C ' HD23 ' D' ' 51' ' ' LEU . 9.5 tt -62.08 -42.7 99.48 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.061 177.437 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.35 -35.42 71.9 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.103 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.13 -42.42 96.84 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.625 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.79 -43.48 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.37 -44.96 95.12 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.372 1.045 . . . . 0.0 109.088 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.51 -40.88 98.22 Favored 'General case' 0 C--O 1.22 -0.448 0 O-C-N 123.847 0.717 . . . . 0.0 109.718 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.471 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.1 tm? -61.46 -43.17 99.34 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -63.09 -45.35 92.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.68 -41.52 99.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.986 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.8 m -64.85 -39.39 93.49 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.211 0.944 . . . . 0.0 110.309 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.26 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.59 -42.93 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.638 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.471 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.4 ttp180 -59.72 -41.98 92.07 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.147 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.471 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -64.59 -45.09 88.43 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 123.716 0.635 . . . . 0.0 109.69 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.29 68.31 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.628 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 24.9 p -66.29 -34.63 78.42 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.329 0.393 . . . . 0.0 110.919 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -96.1 128.41 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 O-C-N 123.78 0.675 . . . . 0.0 109.541 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.86 164.26 12.41 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.815 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.83 125.99 60.94 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.463 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.56 55.42 5.16 Favored 'Trans proline' 0 N--CA 1.508 2.36 0 C-N-CA 123.192 2.595 . . . . 0.0 111.061 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.55 ' HB2' HD23 ' E' ' 28' ' ' LEU . 1.9 pt20 -160.87 67.25 0.32 Allowed 'General case' 0 C--O 1.246 0.906 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.959 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . 0.53 ' H ' HD22 ' E' ' 27' ' ' ASN . 3.8 mm-40 -71.42 -74.09 0.16 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.91 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.98 171.01 13.37 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.784 0.678 . . . . 0.0 111.356 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' E' ' 28' ' ' LEU . 36.1 ptt-85 -63.99 -15.88 60.33 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.739 0.65 . . . . 0.0 110.296 177.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -82.49 -50.68 8.58 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.53 HD22 ' H ' ' E' ' 23' ' ' GLN . 10.3 t30 -64.18 -34.59 78.44 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.389 1.056 . . . . 0.0 109.333 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' E' ' 22' ' ' GLN . 8.0 mt -61.98 -43.17 99.39 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.74 -37.45 87.65 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 124.148 0.905 . . . . 0.0 111.184 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.39 -48.98 79.59 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -63.25 -41.14 99.03 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.408 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -71.44 -62.65 1.33 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -62.65 -46.59 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -60.99 -41.29 96.17 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.255 0.479 . . . . 0.0 110.636 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 37.6 t80 -59.86 -44.67 94.01 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -61.52 -53.96 49.55 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.134 0.896 . . . . 0.0 109.665 178.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 33' ' ' ILE . 18.7 mt -51.3 -74.18 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -35.04 -45.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 125.369 1.668 . . . . 0.0 110.904 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.544 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.9 mt -61.76 -47.11 86.64 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 120.651 0.262 . . . . 0.0 110.458 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.606 HG23 HD13 ' D' ' 44' ' ' LEU . 65.3 mt -65.25 -42.12 93.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.314 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 58.8 m -56.0 -47.21 78.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.62 -39.85 94.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.506 -1.224 . . . . 0.0 110.076 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.46 -51.24 64.05 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' E' ' 47' ' ' ILE . 11.5 mt -50.12 -38.05 37.08 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.469 0.481 . . . . 0.0 110.824 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.54 -31.92 73.23 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.879 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' E' ' 44' ' ' LEU . 88.4 mt -63.04 -41.49 93.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 50' ' ' MET . 29.3 mm -63.91 -42.03 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.29 -43.0 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.487 ' HG3' HD12 ' D' ' 48' ' ' ILE . 86.0 mmm -65.93 -37.45 86.08 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.944 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.403 ' C ' HD23 ' E' ' 51' ' ' LEU . 9.6 tt -61.73 -42.67 99.27 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.069 177.547 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.57 -38.35 80.92 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.2 -41.64 94.3 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 124.38 1.05 . . . . 0.0 109.501 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.4 -44.4 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.93 -41.41 97.64 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.04 0.837 . . . . 0.0 109.365 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.03 -40.43 95.68 Favored 'General case' 0 C--O 1.215 -0.761 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.173 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.83 -46.19 89.1 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.224 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.5 -41.93 99.15 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.029 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -64.6 -39.95 94.65 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.005 0.815 . . . . 0.0 110.133 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.14 94.88 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.19 -42.89 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.944 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -57.65 -41.38 81.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.047 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -67.41 -40.0 85.54 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.014 177.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.95 67.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.738 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -70.54 104.86 2.9 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 123.825 0.703 . . . . 0.0 109.237 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 133.85 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.36 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 2.2 mt-10 -82.27 50.94 1.7 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.605 0.717 . . . . 0.0 110.527 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.04 33.3 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.232 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.12 152.62 43.64 Favored 'Trans proline' 0 N--CA 1.516 2.818 0 C-N-CA 122.503 2.136 . . . . 0.0 112.15 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -54.66 -44.32 73.18 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.958 0.786 . . . . 0.0 110.845 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.87 -41.16 99.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.029 0.532 . . . . 0.0 110.314 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -70.61 -41.23 72.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.479 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 HH12 HD21 ' E' ' 30' ' ' ASN . 7.8 ttt-85 -63.76 -43.61 95.93 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.952 0.882 . . . . 0.0 108.848 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -58.0 -43.72 86.79 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.01 -1.904 . . . . 0.0 107.787 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -62.87 -32.16 73.34 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.888 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.14 -63.23 1.25 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 117.639 0.2 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.426 HE22 HD12 ' E' ' 33' ' ' ILE . 1.6 tt0 -72.0 -27.53 62.8 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.54 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.415 HD21 HH12 ' B' ' 25' ' ' ARG . 11.9 m-20 -57.04 -45.31 83.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.14 -44.78 91.12 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.106 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -62.36 -46.08 90.27 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.254 0.972 . . . . 0.0 113.177 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 HD12 HE22 ' B' ' 29' ' ' GLN . 80.2 mt -60.18 -51.03 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.5 -45.04 94.84 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 34.6 t80 -58.93 -46.93 86.79 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.623 0.577 . . . . 0.0 110.854 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.0 OUTLIER -65.14 -37.65 88.09 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.377 0.423 . . . . 0.0 111.215 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.79 -43.45 68.68 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 124.064 0.853 . . . . 0.0 110.556 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.24 -42.99 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.761 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.1 mt -60.66 -44.68 96.15 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.587 ' CD1' HD13 ' E' ' 44' ' ' LEU . 2.2 mm -64.89 -42.23 94.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 123.232 0.613 . . . . 0.0 109.522 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.0 m -59.9 -51.29 70.33 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 122.598 0.359 . . . . 0.0 110.482 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.28 -41.45 98.49 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.33 1.019 . . . . 0.0 109.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD11 HD13 ' E' ' 48' ' ' ILE . 19.9 tp -64.01 -50.05 70.02 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 124.06 0.85 . . . . 0.0 108.737 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -50.08 -40.69 46.36 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.243 0.617 . . . . 0.0 110.075 177.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 49' ' ' VAL . 62.2 mt -63.45 -42.7 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.99 -38.41 90.98 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.665 HD11 HD11 ' E' ' 48' ' ' ILE . 82.4 mt -63.23 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.778 HG13 HD21 ' B' ' 43' ' ' LEU . 2.6 mm -62.99 -43.51 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.634 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 45' ' ' ILE . 50.5 t -61.88 -47.8 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 124.144 0.902 . . . . 0.0 110.488 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm -65.02 -50.04 67.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -52.6 -43.4 65.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.685 1.241 . . . . 0.0 109.49 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.555 1.167 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.868 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.19 -38.66 80.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.17 -41.08 95.0 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.778 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.54 -44.45 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.1 -41.35 97.31 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 124.028 0.83 . . . . 0.0 109.162 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.97 -40.54 95.95 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -61.77 -42.99 99.7 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.901 0.751 . . . . 0.0 109.058 178.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -62.65 -45.98 90.33 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.786 0.679 . . . . 0.0 109.341 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.75 -41.83 99.38 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.984 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -64.48 -39.85 94.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.009 0.818 . . . . 0.0 110.08 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.0 94.76 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.642 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.133 -0.94 . . . . 0.0 108.886 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.457 ' HE ' HH12 ' B' ' 14' ' ' ARG . 49.5 ttp180 -57.62 -41.44 81.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.998 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.457 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -67.17 -40.01 86.55 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 177.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.88 67.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.867 0.73 . . . . 0.0 110.811 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.4 p -70.32 104.24 2.63 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.801 0.688 . . . . 0.0 109.285 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.21 133.39 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.397 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.445 ' HA ' ' HB1' ' B' ' 24' ' ' ALA . 2.5 mt-10 -82.18 51.52 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.599 0.714 . . . . 0.0 110.578 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -43.57 34.32 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 152.98 43.33 Favored 'Trans proline' 0 N--CA 1.515 2.769 0 C-N-CA 122.678 2.252 . . . . 0.0 112.132 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -55.24 -44.16 75.23 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.81 0.694 . . . . 0.0 110.721 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -62.57 -41.41 98.91 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.339 0.59 . . . . 0.0 110.239 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' B' ' 19' ' ' GLU . . . -70.27 -40.98 74.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.415 HH12 HD21 ' A' ' 30' ' ' ASN . 8.7 ttt-85 -64.46 -42.47 95.91 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 121.861 0.839 . . . . 0.0 108.991 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.47 -44.16 89.19 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 113.711 -1.586 . . . . 0.0 107.553 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.47 -31.0 72.03 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.339 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt -56.62 -62.54 1.66 Allowed 'General case' 0 C--N 1.363 1.165 0 O-C-N 123.247 0.342 . . . . 0.0 110.192 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.431 HE22 HD12 ' A' ' 33' ' ' ILE . 1.6 tt0 -72.57 -26.86 61.88 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.437 HD21 HH12 ' C' ' 25' ' ' ARG . 12.2 m-20 -57.09 -46.24 82.71 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.97 -44.95 94.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.136 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' B' ' 29' ' ' GLN . 11.3 m-30 -62.46 -46.14 89.85 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.478 HD12 HE22 ' C' ' 29' ' ' GLN . 81.2 mt -59.93 -51.63 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.02 -44.74 96.08 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.64 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.3 t80 -59.65 -47.31 86.1 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 123.359 0.412 . . . . 0.0 111.256 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -63.55 -34.06 76.97 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.651 0.595 . . . . 0.0 111.631 179.342 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.5 -74.4 0.13 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -32.01 -44.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.549 0 O-C-N 125.737 1.898 . . . . 0.0 110.924 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' B' ' 35' ' ' PHE . 21.9 mt -60.39 -49.73 76.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.684 0.278 . . . . 0.0 110.409 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.464 HD11 ' SG ' ' A' ' 41' ' ' CYS . 96.1 mt -66.55 -41.02 87.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.389 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 57.6 m -55.39 -50.55 69.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 45' ' ' ILE . 55.1 mt -62.28 -39.75 93.98 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.2 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.778 HD21 HG13 ' A' ' 48' ' ' ILE . 30.5 tp -64.83 -47.87 76.45 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' B' ' 47' ' ' ILE . 1.6 mt -53.06 -38.55 62.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.032 0.533 . . . . 0.0 109.587 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.45 ' O ' HG23 ' B' ' 49' ' ' VAL . 66.5 mt -63.34 -42.69 97.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.12 -37.96 89.12 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' B' ' 44' ' ' LEU . 86.8 mt -63.53 -42.79 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.517 HD11 HG13 ' C' ' 47' ' ' ILE . 1.2 mm -63.03 -43.79 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.862 0.865 . . . . 0.0 109.73 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 45' ' ' ILE . 54.1 t -63.29 -47.17 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.239 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 95.7 mmm -72.27 -27.78 62.7 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.824 0.702 . . . . 0.0 111.429 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 48.5 tp -70.04 -43.1 71.96 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.3 mt . . . . . 0 CA--C 1.547 0.835 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.656 -179.754 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.28 -37.98 85.11 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.962 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.47 -41.69 93.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.856 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.17 -43.92 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 124.075 0.859 . . . . 0.0 108.744 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.87 -43.33 99.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 124.091 0.869 . . . . 0.0 109.304 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.43 -40.46 94.53 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 123.781 0.676 . . . . 0.0 109.264 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.407 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -43.18 99.36 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -63.02 -46.1 89.21 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.296 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.36 -41.96 99.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.278 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -64.58 -40.08 94.89 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.157 0.911 . . . . 0.0 110.087 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.29 94.75 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.03 -43.03 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.832 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.448 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.5 ttp180 -57.61 -41.33 81.07 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.448 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -67.39 -39.93 85.64 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.148 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.05 67.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.746 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -70.47 104.67 2.82 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 81.1 mt -128.3 133.64 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.31 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.475 ' HA ' ' HB1' ' C' ' 24' ' ' ALA . 2.3 mt-10 -82.27 51.54 1.83 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.693 0.759 . . . . 0.0 110.434 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -43.75 30.78 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.466 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.39 152.44 46.7 Favored 'Trans proline' 0 N--CA 1.516 2.849 0 C-N-CA 122.732 2.288 . . . . 0.0 111.945 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -54.88 -43.64 73.34 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.79 0.681 . . . . 0.0 110.832 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -63.32 -40.98 98.82 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.324 0.39 . . . . 0.0 109.976 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' C' ' 19' ' ' GLU . . . -70.42 -41.02 73.49 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.357 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.437 HH12 HD21 ' B' ' 30' ' ' ASN . 7.9 ttt-85 -64.37 -42.38 96.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.958 0.885 . . . . 0.0 109.035 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.18 -43.73 92.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.612 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.91 -32.74 74.09 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.436 1.085 . . . . 0.0 111.98 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 mt -55.6 -62.63 1.56 Allowed 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.364 0.415 . . . . 0.0 110.557 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.478 HE22 HD12 ' B' ' 33' ' ' ILE . 1.6 tt0 -72.8 -26.52 61.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . 0.465 HD21 HH12 ' D' ' 25' ' ' ARG . 12.5 m-20 -57.5 -45.8 84.5 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.7 -44.45 93.64 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 113.738 -1.574 . . . . 0.0 110.176 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' C' ' 29' ' ' GLN . 11.8 m-30 -62.43 -46.63 87.69 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.725 0.641 . . . . 0.0 112.722 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.452 HD12 HE22 ' D' ' 29' ' ' GLN . 80.0 mt -59.72 -51.14 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.93 -44.84 94.98 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.599 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 36.8 t80 -56.86 -47.31 80.71 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 123.647 0.592 . . . . 0.0 111.728 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -62.34 -50.61 70.94 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.66 0.6 . . . . 0.0 109.69 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.2 -44.23 95.3 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.18 -42.52 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 124.971 1.419 . . . . 0.0 109.687 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 26.5 mt -60.09 -45.4 93.06 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.537 HD11 ' SG ' ' B' ' 41' ' ' CYS . 44.6 mt -66.91 -40.46 85.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.428 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 74.1 m -56.42 -49.98 72.96 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.57 -41.45 98.93 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.62 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 44' ' ' LEU . 15.4 tp -70.68 -23.68 62.53 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.637 ' HB3' HD23 ' D' ' 43' ' ' LEU . 0.0 OUTLIER -73.85 -39.01 64.29 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.408 ' O ' HG23 ' C' ' 49' ' ' VAL . 68.6 mt -63.29 -41.59 93.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 77.9 m -62.24 -41.28 98.27 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.517 HG13 HD11 ' B' ' 48' ' ' ILE . 64.6 mt -63.59 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.588 HD11 HG13 ' D' ' 47' ' ' ILE . 1.1 mm -61.92 -44.64 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.444 0.698 . . . . 0.0 110.276 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.408 HG23 ' O ' ' C' ' 45' ' ' ILE . 54.6 t -63.34 -47.79 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 123.709 0.631 . . . . 0.0 110.427 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mmm -72.98 -26.91 61.52 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.717 0.635 . . . . 0.0 111.264 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -69.97 -42.12 73.57 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 CA--C 1.548 0.901 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.788 179.81 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.91 -38.24 81.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.25 -41.77 93.95 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.831 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.27 -44.82 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.31 -41.33 98.93 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 124.237 0.96 . . . . 0.0 109.338 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.18 -40.59 96.54 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.901 0.751 . . . . 0.0 109.021 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -61.85 -42.9 99.61 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -62.63 -46.05 90.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.244 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.74 -41.8 99.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.178 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -64.53 -40.05 94.88 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.119 0.887 . . . . 0.0 110.246 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.24 94.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.21 -42.83 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.879 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.455 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.5 ttp180 -57.69 -41.35 81.48 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.102 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.455 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -67.35 -39.96 85.8 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.15 177.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.37 -26.03 67.56 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.738 0.649 . . . . 0.0 110.813 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -70.56 104.61 2.84 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.812 0.695 . . . . 0.0 109.219 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.97 133.56 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.358 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' HB1' ' D' ' 24' ' ' ALA . 2.2 mt-10 -82.19 51.1 1.71 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 123.898 0.749 . . . . 0.0 110.46 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -43.85 34.28 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.405 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.97 152.84 41.29 Favored 'Trans proline' 0 N--CA 1.517 2.894 0 C-N-CA 122.387 2.058 . . . . 0.0 111.782 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.43 -43.53 75.44 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.859 0.724 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' D' ' 19' ' ' GLU . . . -70.68 -41.49 71.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.52 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.465 HH12 HD21 ' C' ' 30' ' ' ASN . 8.0 ttt-85 -64.85 -42.04 95.2 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -58.92 -43.68 91.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.475 -1.693 . . . . 0.0 107.478 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.91 -32.87 74.24 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.195 0.934 . . . . 0.0 112.637 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -54.91 -63.59 1.1 Allowed 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.42 0.45 . . . . 0.0 110.368 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.452 HE22 HD12 ' C' ' 33' ' ' ILE . 1.6 tt0 -71.69 -27.15 62.84 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . 0.436 HD21 HH12 ' E' ' 25' ' ' ARG . 12.5 m-20 -57.19 -45.21 83.95 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.11 -44.67 91.54 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.885 -1.507 . . . . 0.0 110.322 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' D' ' 29' ' ' GLN . 10.7 m-30 -62.3 -45.8 91.63 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.434 HD12 HE22 ' E' ' 29' ' ' GLN . 78.9 mt -60.0 -51.21 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.1 -43.94 97.07 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.663 1.227 . . . . 0.0 110.986 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -56.96 -47.44 80.71 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.771 0.669 . . . . 0.0 111.96 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.32 -50.63 70.89 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.513 0.508 . . . . 0.0 109.833 178.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.65 -44.17 93.64 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.592 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.7 -42.42 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 124.64 1.213 . . . . 0.0 109.394 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 23.4 mt -60.27 -45.5 93.08 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' D' ' 44' ' ' LEU . 82.9 mt -67.54 -40.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 123.758 0.661 . . . . 0.0 110.457 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 75.3 m -54.28 -50.39 67.37 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.739 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -71.84 -25.12 61.84 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.454 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.455 HD13 HG23 ' E' ' 40' ' ' ILE . 1.5 mt -70.21 -40.53 74.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.439 ' O ' HG23 ' D' ' 49' ' ' VAL . 68.0 mt -63.02 -42.18 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.304 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.27 -40.74 97.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.87 0.731 . . . . 0.0 110.188 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.588 HG13 HD11 ' C' ' 48' ' ' ILE . 73.0 mt -62.68 -44.41 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.646 HD13 HD11 ' E' ' 43' ' ' LEU . 71.7 mt -65.1 -42.34 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 124.468 1.105 . . . . 0.0 112.081 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 45' ' ' ILE . 44.9 t -61.63 -46.65 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 96.0 mmm -73.73 -26.99 60.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.536 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -70.09 -42.63 72.46 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.554 1.112 0 CA-C-N 113.817 -1.538 . . . . 0.0 108.396 179.59 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.12 -38.14 82.13 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.08 -41.74 94.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.944 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.36 -44.66 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.37 -41.47 98.82 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.34 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.23 -40.31 95.73 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.867 0.729 . . . . 0.0 109.049 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.421 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.86 -42.99 99.72 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.75 -46.03 89.94 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.373 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.73 -41.84 99.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.126 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -64.37 -40.12 95.21 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.95 0.781 . . . . 0.0 110.302 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.05 95.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.33 -42.81 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.74 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.458 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.6 ttp180 -57.76 -41.34 81.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.949 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.458 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -67.27 -39.99 86.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.161 177.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.01 67.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.8 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 25.8 p -70.56 104.77 2.89 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -127.86 133.69 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.343 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . 0.479 ' HA ' ' HB1' ' E' ' 24' ' ' ALA . 2.3 mt-10 -81.88 50.43 1.54 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.555 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -43.65 30.7 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.128 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.12 152.74 42.98 Favored 'Trans proline' 0 N--CA 1.519 3.008 0 C-N-CA 122.434 2.089 . . . . 0.0 111.737 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -54.97 -44.28 74.24 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.377 0.423 . . . . 0.0 110.688 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -63.08 -40.8 98.75 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.045 0.841 . . . . 0.0 110.119 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' E' ' 19' ' ' GLU . . . -70.65 -41.57 71.96 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.088 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.436 HH12 HD21 ' D' ' 30' ' ' ASN . 7.0 ttt-85 -64.43 -42.51 95.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.941 0.876 . . . . 0.0 108.741 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -57.99 -44.09 86.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 113.498 -1.683 . . . . 0.0 107.396 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -62.57 -32.77 73.81 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.497 1.123 . . . . 0.0 112.875 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -54.76 -63.83 1.03 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.654 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.434 HE22 HD12 ' D' ' 33' ' ' ILE . 1.7 tt0 -72.01 -26.05 62.07 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . 0.436 HD21 HH12 ' A' ' 25' ' ' ARG . 12.7 m-20 -57.88 -45.2 86.75 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.17 -44.68 91.33 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.515 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.416 ' CD2' ' HA ' ' E' ' 29' ' ' GLN . 10.9 m-30 -62.49 -46.05 90.23 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.862 0.726 . . . . 0.0 112.837 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.426 HD12 HE22 ' A' ' 29' ' ' GLN . 75.9 mt -59.62 -51.28 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.84 -44.3 96.51 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.374 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 33.8 t80 -57.07 -47.14 81.71 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.689 0.618 . . . . 0.0 111.166 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -62.88 -50.39 71.08 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.157 0.503 . . . . 0.0 110.063 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -44.54 93.71 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.11 -43.43 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 125.112 1.507 . . . . 0.0 108.779 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.551 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 26.1 mt -59.94 -46.25 90.01 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' D' ' 41' ' ' CYS . 53.2 mt -65.95 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.18 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.8 m -58.17 -49.27 77.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.31 -40.92 97.91 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 124.514 1.134 . . . . 0.0 109.595 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.646 HD11 HD13 ' D' ' 48' ' ' ILE . 19.0 tp -64.82 -51.02 64.36 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' E' ' 47' ' ' ILE . 0.1 OUTLIER -49.01 -41.77 35.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.203 0.601 . . . . 0.0 109.942 178.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.485 ' O ' HG23 ' E' ' 49' ' ' VAL . 66.1 mt -63.14 -43.74 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.358 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.98 -38.53 91.4 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.287 0.367 . . . . 0.0 110.666 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' E' ' 44' ' ' LEU . 77.1 mt -62.17 -44.94 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.665 HD11 HD11 ' A' ' 47' ' ' ILE . 72.5 mt -66.11 -40.85 88.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.485 HG23 ' O ' ' E' ' 45' ' ' ILE . 40.8 t -60.67 -47.04 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 98.1 mmm -65.3 -49.99 67.38 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -52.59 -43.01 65.04 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.257 0.973 . . . . 0.0 109.537 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 CA--C 1.552 1.057 0 O-C-N 124.536 1.147 . . . . 0.0 108.081 178.788 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.13 -36.32 81.42 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.53 -42.68 95.59 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.342 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.93 -45.23 97.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 O-C-N 124.118 0.886 . . . . 0.0 108.874 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -60.52 -44.56 95.91 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 124.114 0.884 . . . . 0.0 109.555 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -62.69 -41.12 98.94 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.892 0.745 . . . . 0.0 109.409 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.4 tm? -61.87 -43.16 99.4 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.869 0.731 . . . . 0.0 109.299 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.68 -46.74 86.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.289 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -61.97 -43.41 98.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.24 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -63.88 -40.81 97.4 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.989 0.806 . . . . 0.0 110.522 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.36 92.8 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.545 0.528 . . . . 0.0 109.777 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.88 -42.8 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.19 0.931 . . . . 0.0 109.073 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -58.67 -41.98 87.43 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.543 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -70.81 -39.91 72.81 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.921 0.763 . . . . 0.0 109.722 178.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.62 1.18 12.77 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.148 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -83.65 54.38 2.85 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.182 0.515 . . . . 0.0 111.111 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -126.09 100.84 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -142.89 135.75 27.96 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.705 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -51.4 -52.96 54.7 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.48 -41.87 45.27 Favored 'Trans proline' 0 N--CA 1.512 2.579 0 C-N-CA 122.091 1.861 . . . . 0.0 112.169 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -67.84 -35.84 79.29 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.824 0.703 . . . . 0.0 110.434 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -71.16 -40.4 71.33 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.903 0.752 . . . . 0.0 109.58 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.88 32.02 2.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.607 0.763 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 27' ' ' ASN . 51.1 ttt180 -72.81 146.6 46.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.824 0.821 . . . . 0.0 110.652 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.52 -39.63 73.68 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.094 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' H ' ' HG2' ' A' ' 25' ' ' ARG . 2.9 t30 -68.59 -12.45 61.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.48 -1.236 . . . . 0.0 113.159 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.37 -26.11 67.62 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 118.857 0.753 . . . . 0.0 109.638 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -57.73 -35.59 70.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.165 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.02 -45.41 86.94 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.13 0.894 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.26 -45.71 93.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.39 -53.48 28.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.107 0.879 . . . . 0.0 112.566 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.74 -45.08 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 O-C-N 123.173 0.296 . . . . 0.0 110.824 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -63.43 -42.42 98.69 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.596 0.56 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -57.46 -47.71 81.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.34 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.1 t -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.864 0.728 . . . . 0.0 111.298 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HB3' ' SG ' ' B' ' 36' ' ' CYS . 44.4 mt -70.43 -43.2 70.42 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.379 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.62 -41.92 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.996 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 26.3 mt -61.55 -44.53 96.86 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 HD12 HD13 ' E' ' 44' ' ' LEU . 28.7 mm -65.75 -41.8 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.349 1.03 . . . . 0.0 109.25 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 73.4 m -60.84 -52.34 65.47 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.02 0.528 . . . . 0.0 110.346 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 45' ' ' ILE . 67.8 mt -60.36 -41.38 93.55 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 123.736 0.647 . . . . 0.0 109.923 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD21 HG13 ' E' ' 48' ' ' ILE . 32.5 tp -66.62 -47.36 72.87 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -52.49 -36.91 56.14 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 122.688 0.395 . . . . 0.0 110.477 178.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.4 mt -61.88 -43.24 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.7 -37.9 87.72 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 44' ' ' LEU . 90.7 mt -63.58 -43.24 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.85 HG13 HD21 ' B' ' 43' ' ' LEU . 5.6 mm -63.68 -44.43 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.598 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 45' ' ' ILE . 47.8 t -60.92 -45.43 98.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 123.961 0.788 . . . . 0.0 109.65 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.1 mmm -62.1 -51.64 67.1 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.29 -41.62 72.53 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 123.883 0.739 . . . . 0.0 110.294 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.544 0.75 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.112 178.295 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.03 80.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.55 -42.68 95.53 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.449 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 124.131 0.894 . . . . 0.0 108.879 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -61.95 -44.52 96.6 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.083 0.864 . . . . 0.0 109.437 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -62.87 -41.93 99.57 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.753 0.658 . . . . 0.0 109.466 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.7 -43.58 98.58 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.677 0.611 . . . . 0.0 109.545 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.54 -46.06 90.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.238 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.49 -43.25 99.26 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.101 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.63 -40.68 97.49 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.098 0.874 . . . . 0.0 110.529 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.43 92.44 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.831 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.82 -42.83 95.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.114 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -58.62 -41.84 86.85 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.634 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -71.05 -39.97 71.94 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.803 0.689 . . . . 0.0 109.739 178.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.14 12.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.166 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 54.49 2.93 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.229 0.538 . . . . 0.0 111.082 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.646 HD13 ' H ' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -125.52 100.23 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -142.58 135.39 28.17 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.759 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 65.0 mtt -51.2 -52.89 54.64 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.535 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.73 -41.66 44.9 Favored 'Trans proline' 0 N--CA 1.511 2.541 0 C-N-CA 122.015 1.81 . . . . 0.0 112.189 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -67.73 -35.61 79.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.855 0.722 . . . . 0.0 110.411 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.68 -40.26 69.7 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 124.045 0.84 . . . . 0.0 109.656 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.92 33.07 2.43 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.453 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' H ' ' B' ' 27' ' ' ASN . 50.4 ttt180 -73.26 146.49 45.36 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.882 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -56.04 -39.17 71.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.427 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.464 ' H ' ' HG2' ' B' ' 25' ' ' ARG . 3.0 t30 -69.72 -12.71 61.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.94 -1.482 . . . . 0.0 113.369 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -60.78 -26.31 67.17 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 118.654 0.661 . . . . 0.0 109.535 178.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -57.97 -35.68 71.52 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.198 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.93 -45.49 86.5 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 124.058 0.849 . . . . 0.0 109.837 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.27 -45.26 95.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.59 -53.22 29.96 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.178 0.924 . . . . 0.0 112.809 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.61 -45.18 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 123.216 0.322 . . . . 0.0 110.916 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -62.69 -41.73 99.26 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 123.394 0.434 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' B' ' 39' ' ' LEU . 41.2 t80 -59.38 -47.65 84.63 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.394 0.433 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.1 t -65.6 -30.56 71.3 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.509 0.506 . . . . 0.0 111.686 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 40' ' ' ILE . 48.2 mt -72.16 -70.64 0.32 Allowed 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -32.89 -43.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.569 1.684 0 O-C-N 124.974 1.422 . . . . 0.0 110.449 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' B' ' 35' ' ' PHE . 25.4 mt -61.41 -48.75 79.76 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 41' ' ' CYS . 21.2 mm -63.52 -41.42 92.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 124.102 0.876 . . . . 0.0 108.658 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 61.0 m -61.16 -52.97 62.61 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.755 0.659 . . . . 0.0 109.949 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 45' ' ' ILE . 60.4 mt -59.42 -40.0 85.29 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.104 0.878 . . . . 0.0 109.334 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.85 HD21 HG13 ' A' ' 48' ' ' ILE . 32.7 tp -66.09 -47.8 73.03 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' C' ' 40' ' ' ILE . 0.0 OUTLIER -54.11 -35.1 61.78 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 122.554 0.341 . . . . 0.0 110.509 179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' B' ' 42' ' ' LEU . 62.0 mt -63.47 -42.79 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -66.2 -37.51 85.75 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' B' ' 44' ' ' LEU . 90.9 mt -63.39 -42.1 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.807 HG13 HD21 ' C' ' 43' ' ' LEU . 4.6 mm -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.288 0.992 . . . . 0.0 110.073 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.46 -43.71 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.7 mmm -70.54 -28.56 65.02 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.251 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -41.06 68.94 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 114.297 -1.319 . . . . 0.0 110.152 178.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.13 -35.84 79.96 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.69 -42.65 95.18 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.266 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.31 -44.14 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.004 0.815 . . . . 0.0 108.876 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -61.35 -44.56 96.97 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 124.188 0.93 . . . . 0.0 109.367 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.26 -41.08 99.01 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 123.786 0.679 . . . . 0.0 109.497 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.5 tm? -62.17 -42.89 99.7 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.809 0.693 . . . . 0.0 109.565 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.82 -46.44 87.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -62.82 -42.34 99.68 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.201 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -62.93 -41.83 99.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.269 0.98 . . . . 0.0 110.478 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.37 88.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.014 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.42 -42.74 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.235 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.465 HH21 HH22 ' C' ' 14' ' ' ARG . 48.6 ttp180 -58.55 -41.74 86.26 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.441 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.465 HH22 HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -71.32 -39.7 71.23 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.817 0.698 . . . . 0.0 109.893 178.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.39 0.9 13.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.103 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -84.1 54.63 3.01 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.239 0.542 . . . . 0.0 111.076 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.641 ' H ' HD13 ' C' ' 18' ' ' ILE . 0.1 OUTLIER -125.78 100.1 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.007 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.6 mp0 -142.47 135.4 28.4 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.958 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.12 -52.76 55.52 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.687 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.52 -41.99 44.01 Favored 'Trans proline' 0 N--CA 1.513 2.672 0 C-N-CA 121.996 1.797 . . . . 0.0 112.348 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -67.39 -35.97 80.37 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -71.75 -40.78 69.11 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.461 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.2 32.56 2.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.461 ' HG2' ' H ' ' C' ' 27' ' ' ASN . 50.5 ttt180 -73.21 147.31 44.81 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 122.869 1.319 . . . . 0.0 110.736 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.18 -39.4 75.26 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.373 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.461 ' H ' ' HG2' ' C' ' 25' ' ' ARG . 3.0 t30 -68.79 -12.84 61.94 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.581 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' C' ' 28' ' ' LEU . 0.2 OUTLIER -60.86 -26.27 67.26 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 118.977 0.808 . . . . 0.0 109.433 178.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -57.36 -35.54 70.06 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.27 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.84 -46.03 85.36 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.866 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.08 -46.05 92.24 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.45 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.66 -53.06 37.92 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.81 -44.77 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 123.13 0.269 . . . . 0.0 110.809 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -64.14 -41.52 97.17 Favored 'General case' 0 C--O 1.203 -1.371 0 O-C-N 123.806 0.691 . . . . 0.0 110.483 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 41.0 t80 -56.84 -47.09 81.15 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.581 0.551 . . . . 0.0 111.382 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.55 -49.02 75.1 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.785 0.678 . . . . 0.0 109.663 179.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.61 -42.36 92.45 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.651 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -42.2 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 O-C-N 124.272 0.982 . . . . 0.0 108.947 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.1 mt -60.8 -44.49 96.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 31.8 mm -64.47 -42.69 96.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 O-C-N 124.263 0.977 . . . . 0.0 109.44 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.9 m -61.4 -51.92 66.74 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.457 0.473 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' C' ' 45' ' ' ILE . 65.9 mt -59.95 -41.25 91.48 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 124.068 0.855 . . . . 0.0 109.823 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.807 HD21 HG13 ' B' ' 48' ' ' ILE . 30.7 tp -66.29 -47.9 72.13 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 123.811 0.695 . . . . 0.0 109.232 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.589 HD13 HD12 ' D' ' 40' ' ' ILE . 0.1 OUTLIER -52.78 -39.3 62.17 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 123.258 0.349 . . . . 0.0 110.136 178.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' C' ' 42' ' ' LEU . 54.9 mt -60.73 -42.58 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 61.9 m -63.08 -40.45 97.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.58 -41.88 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.821 HG13 HD21 ' D' ' 43' ' ' LEU . 5.7 mm -62.47 -44.5 99.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 123.938 0.774 . . . . 0.0 109.132 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 45' ' ' ILE . 49.0 t -60.88 -45.02 98.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.54 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.3 mmm -62.03 -50.92 70.07 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.167 0.917 . . . . 0.0 109.336 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.04 -41.91 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.788 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.548 0.899 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.915 178.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.81 -35.88 79.51 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.6 -42.71 95.37 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.441 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.31 -44.04 97.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 124.057 0.848 . . . . 0.0 108.891 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.45 -44.72 96.61 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.318 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.99 -41.73 99.66 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 123.889 0.743 . . . . 0.0 109.644 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.464 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.86 -43.36 99.01 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.743 0.652 . . . . 0.0 109.505 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.71 -46.08 89.76 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.161 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.4 -43.4 98.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.09 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -63.7 -40.4 96.68 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.017 0.823 . . . . 0.0 110.631 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.34 92.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.763 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.83 -42.77 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.217 0.948 . . . . 0.0 109.152 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.476 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.0 ttp180 -58.67 -41.83 87.07 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.557 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.476 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.95 -39.94 72.29 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.728 0.642 . . . . 0.0 109.762 178.34 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 1.09 12.69 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.1 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 54.64 2.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.235 0.54 . . . . 0.0 110.967 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.647 HD13 ' H ' ' D' ' 18' ' ' ILE . 0.1 OUTLIER -125.79 100.3 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 121.869 0.842 . . . . 0.0 108.742 177.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -142.65 135.54 28.2 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.673 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.2 -52.88 54.76 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 118.395 -0.812 . . . . 0.0 112.564 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -60.75 -41.6 45.12 Favored 'Trans proline' 0 N--CA 1.51 2.485 0 C-N-CA 122.063 1.842 . . . . 0.0 112.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.01 -35.18 77.88 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.771 0.669 . . . . 0.0 110.464 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.1 -40.26 68.3 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 124.102 0.876 . . . . 0.0 109.641 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.29 33.99 2.29 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.974 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.468 ' HG2' ' H ' ' D' ' 27' ' ' ASN . 49.2 ttt180 -73.39 146.61 45.0 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.528 0.68 . . . . 0.0 110.674 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -57.06 -39.23 74.5 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.036 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.468 ' H ' ' HG2' ' D' ' 25' ' ' ARG . 3.1 t30 -69.08 -12.7 61.91 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 113.782 -1.554 . . . . 0.0 113.357 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 28' ' ' LEU . 0.2 OUTLIER -60.33 -26.56 66.67 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 119.032 0.833 . . . . 0.0 109.556 178.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -57.63 -35.24 70.23 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.187 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.03 -45.7 86.54 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 124.196 0.935 . . . . 0.0 109.845 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.44 -46.16 91.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.64 -52.86 40.34 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.931 0.769 . . . . 0.0 112.921 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.78 -45.02 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 123.08 0.238 . . . . 0.0 110.769 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.04 -41.28 97.45 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.48 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 42.5 t80 -56.86 -47.45 80.36 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.976 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -62.79 -48.93 76.99 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.6 0.563 . . . . 0.0 109.988 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.26 -42.6 95.72 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.995 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.76 -42.17 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -61.26 -45.24 95.3 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' C' ' 41' ' ' CYS . 34.6 mm -63.94 -41.7 93.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 124.301 1.001 . . . . 0.0 110.202 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 78.6 m -61.68 -51.27 69.12 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.616 0.572 . . . . 0.0 110.304 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.8 mt -60.36 -41.28 93.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.812 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.821 HD21 HG13 ' C' ' 48' ' ' ILE . 34.4 tp -65.94 -47.99 72.87 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 47' ' ' ILE . 0.1 OUTLIER -52.76 -37.52 59.63 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.472 0.483 . . . . 0.0 110.066 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' D' ' 42' ' ' LEU . 53.9 mt -62.03 -42.91 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.74 -37.96 87.83 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' D' ' 44' ' ' LEU . 85.9 mt -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.843 HG13 HD21 ' E' ' 43' ' ' LEU . 5.8 mm -63.62 -44.13 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.74 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 45' ' ' ILE . 48.5 t -61.07 -45.33 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 124.163 0.915 . . . . 0.0 109.396 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -62.17 -51.45 67.77 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.06 -41.88 72.03 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.431 0.692 . . . . 0.0 110.659 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.222 178.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -36.07 80.29 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.44 -42.8 95.78 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.455 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.19 -44.13 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 124.07 0.856 . . . . 0.0 108.927 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -61.58 -44.61 96.69 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.378 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -63.04 -41.7 99.57 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 123.813 0.696 . . . . 0.0 109.529 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.467 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.5 tm? -61.82 -43.27 99.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.915 0.759 . . . . 0.0 109.559 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -62.93 -45.94 90.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.835 0.709 . . . . 0.0 109.252 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -62.57 -43.24 99.31 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -63.71 -40.41 96.7 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.028 0.83 . . . . 0.0 110.624 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.34 91.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.765 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.71 -42.91 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 124.192 0.932 . . . . 0.0 109.165 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.466 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.2 ttp180 -58.54 -41.97 86.76 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.652 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.466 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -71.0 -39.98 72.09 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.727 0.642 . . . . 0.0 109.635 178.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.44 1.26 12.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.223 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -84.09 54.55 2.98 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 121.283 0.563 . . . . 0.0 111.036 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.64 HD13 ' H ' ' E' ' 18' ' ' ILE . 0.1 OUTLIER -125.8 100.15 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.942 0.877 . . . . 0.0 108.741 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -142.5 135.67 28.6 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.77 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -51.37 -53.05 53.67 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.421 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -60.54 -41.54 47.38 Favored 'Trans proline' 0 N--CA 1.506 2.255 0 C-N-CA 122.053 1.836 . . . . 0.0 112.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -67.54 -36.04 80.22 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.792 0.683 . . . . 0.0 110.323 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.55 -40.46 70.0 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.393 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.05 33.15 2.45 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 124.11 0.881 . . . . 0.0 110.05 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' H ' ' E' ' 27' ' ' ASN . 51.2 ttt180 -72.93 147.06 45.62 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 122.266 1.031 . . . . 0.0 110.825 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.53 -39.53 73.53 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.336 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.464 ' H ' ' HG2' ' E' ' 25' ' ' ARG . 3.0 t30 -69.56 -11.77 61.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.635 -1.166 . . . . 0.0 113.629 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' E' ' 28' ' ' LEU . 0.2 OUTLIER -60.73 -26.38 67.14 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 118.938 0.79 . . . . 0.0 109.713 178.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -56.99 -36.07 69.94 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.596 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.23 -45.51 87.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 124.516 1.135 . . . . 0.0 109.646 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.61 -45.65 93.17 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.464 0.478 . . . . 0.0 111.207 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.407 ' CZ ' HD12 ' E' ' 28' ' ' LEU . 5.9 m-85 -67.78 -53.17 29.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.19 -45.05 97.43 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.883 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -63.71 -41.6 98.07 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 124.409 1.068 . . . . 0.0 110.43 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 43.1 t80 -56.88 -46.62 81.76 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.591 0.557 . . . . 0.0 111.072 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -63.64 -49.73 72.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 65.8 mt -58.5 -43.82 89.19 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.407 1.067 . . . . 0.0 110.317 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.69 -43.2 94.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 C-N-CA 123.639 0.775 . . . . 0.0 109.307 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 27.1 mt -60.13 -45.36 93.29 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.608 HD12 HD13 ' D' ' 44' ' ' LEU . 34.2 mm -64.29 -42.53 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.194 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 74.5 m -61.26 -51.76 67.58 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.291 0.369 . . . . 0.0 110.465 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' E' ' 45' ' ' ILE . 70.4 mt -59.5 -42.25 91.76 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.538 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.843 HD21 HG13 ' D' ' 48' ' ' ILE . 31.2 tp -65.78 -48.08 72.98 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.644 HD13 HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -52.37 -35.6 51.8 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.596 0.359 . . . . 0.0 110.839 178.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.9 mt -63.5 -42.95 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -65.9 -38.64 89.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' E' ' 44' ' ' LEU . 91.0 mt -63.26 -42.9 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.824 HG13 HD21 ' A' ' 43' ' ' LEU . 4.1 mm -63.62 -45.19 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.32 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.445 HG23 ' O ' ' E' ' 45' ' ' ILE . 46.7 t -60.81 -45.3 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.087 0.867 . . . . 0.0 109.554 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 79.8 mmm -62.03 -51.22 68.87 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.48 -41.41 72.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.514 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.127 178.24 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mtt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.18 -36.04 76.73 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.6 -42.56 95.47 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.538 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.2 t -64.44 -43.88 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 124.003 0.814 . . . . 0.0 108.99 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -60.59 -45.25 94.68 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.396 1.06 . . . . 0.0 109.079 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -63.49 -40.79 98.01 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.456 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.6 tm? -61.63 -42.99 99.67 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.707 0.629 . . . . 0.0 109.492 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.53 -46.11 89.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.5 -42.69 99.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.029 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.6 m -64.33 -40.24 95.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.611 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.2 94.47 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.509 0.505 . . . . 0.0 109.667 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.76 -42.4 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.998 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.5 ttp180 -60.49 -43.34 97.1 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.605 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -65.71 -43.78 88.1 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.824 179.053 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.79 89.94 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.02 0.825 . . . . 0.0 109.771 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.5 p -64.08 -50.48 68.17 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.304 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 tt -161.56 133.07 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.372 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.82 138.58 56.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.499 ' H ' ' HD2' ' A' ' 21' ' ' PRO . 4.6 mtm -150.17 -58.17 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 124.05 0.844 . . . . 0.0 110.536 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' H ' ' A' ' 20' ' ' MET . 55.7 Cg_endo -83.03 -178.32 3.78 Favored 'Trans proline' 0 N--CA 1.514 2.701 0 C-N-CA 122.89 2.394 . . . . 0.0 113.441 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.44 -44.3 79.05 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -135.79 -54.29 0.77 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.479 1.112 . . . . 0.0 108.473 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 27' ' ' ASN . . . -147.26 153.17 39.45 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.883 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' B' ' 26' ' ' GLN . 16.9 mtp85 -79.12 77.12 5.62 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 122.594 1.188 . . . . 0.0 111.529 -177.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.446 HE22 ' NE2' ' E' ' 26' ' ' GLN . 82.8 mt-30 46.97 43.82 14.1 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 112.17 -2.286 . . . . 0.0 109.819 -176.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 6.1 t30 -61.56 -13.82 24.76 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.289 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.51 -49.29 78.15 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' HG2' HD12 ' A' ' 33' ' ' ILE . 53.5 tt0 -64.24 -39.37 93.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.621 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.9 -43.8 94.63 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.7 0.625 . . . . 0.0 109.615 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.95 -43.8 98.09 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.2 -55.05 10.3 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.416 HD12 ' HG2' ' A' ' 29' ' ' GLN . 71.1 mt -63.77 -47.88 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.923 0.765 . . . . 0.0 112.038 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.441 HD21 ' N ' ' B' ' 33' ' ' ILE . 26.3 m120 -62.42 -41.92 99.06 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.301 0.375 . . . . 0.0 111.065 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CE2' HD11 ' A' ' 39' ' ' LEU . 34.3 t80 -58.77 -46.28 87.86 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 123.621 0.576 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -66.62 -35.11 79.39 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.892 0.745 . . . . 0.0 111.428 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.42 -44.3 68.19 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.65 0.738 . . . . 0.0 109.659 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.45 -41.66 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.196 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 35' ' ' PHE . 25.7 mt -62.11 -44.54 96.44 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' E' ' 41' ' ' CYS . 15.5 mm -63.25 -43.82 98.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' B' ' 40' ' ' ILE . 73.2 m -56.51 -45.74 80.9 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.737 0.303 . . . . 0.0 110.4 178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.09 -35.23 80.47 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.825 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.9 tp -74.54 -30.07 61.62 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.377 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 47' ' ' ILE . 5.4 mp -65.95 -39.09 90.13 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.4 mt -62.58 -43.04 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.0 -37.59 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.755 0.659 . . . . 0.0 109.563 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' LEU . 52.3 mt -63.19 -41.91 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' B' ' 50' ' ' MET . 27.0 mm -64.18 -42.43 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -43.16 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.559 ' HG3' HD12 ' E' ' 48' ' ' ILE . 87.5 mmm -66.78 -36.75 83.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.058 178.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 51' ' ' LEU . 9.8 tt -61.64 -42.63 99.16 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.93 177.46 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.77 -36.39 74.32 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.843 0.354 . . . . 0.0 110.087 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.69 -42.81 95.06 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.622 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.72 -43.59 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 124.057 0.848 . . . . 0.0 109.205 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -60.97 -45.32 95.23 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.375 1.047 . . . . 0.0 109.099 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.56 -40.66 97.57 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 123.741 0.65 . . . . 0.0 109.35 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.6 tm? -61.56 -43.29 99.13 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.743 0.652 . . . . 0.0 109.405 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.44 -46.11 90.02 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.53 -42.64 99.65 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.969 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.0 m -64.3 -40.23 95.51 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.673 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.14 94.56 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.755 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.62 -42.69 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.868 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.5 ttp180 -60.4 -43.29 96.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.68 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -65.88 -43.66 87.66 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.961 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.34 91.34 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.122 0.889 . . . . 0.0 109.828 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -64.54 -50.69 66.35 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 tt -161.85 133.28 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.357 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.43 139.67 57.11 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.52 ' H ' ' HD2' ' B' ' 21' ' ' PRO . 8.8 mtm -152.01 -58.1 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.903 0 O-C-N 124.182 0.926 . . . . 0.0 110.351 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.52 ' HD2' ' H ' ' B' ' 20' ' ' MET . 73.5 Cg_endo -80.98 -178.12 4.18 Favored 'Trans proline' 0 N--CA 1.513 2.657 0 C-N-CA 122.43 2.086 . . . . 0.0 113.576 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.67 -45.06 84.35 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -139.88 -50.14 0.48 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.0 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.588 ' HB1' ' HB2' ' B' ' 27' ' ' ASN . . . -148.04 152.24 37.08 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' C' ' 26' ' ' GLN . 15.2 mtp85 -78.89 76.22 5.38 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 122.066 0.936 . . . . 0.0 111.775 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.441 ' NE2' HE22 ' C' ' 26' ' ' GLN . 81.8 mt-30 46.96 44.07 14.33 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 112.613 -2.085 . . . . 0.0 109.509 -177.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.588 ' HB2' ' HB1' ' B' ' 24' ' ' ALA . 5.6 t30 -61.05 -14.37 23.18 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.086 -1.415 . . . . 0.0 113.417 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.8 -49.83 75.91 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.438 ' HG2' HD12 ' B' ' 33' ' ' ILE . 53.8 tt0 -64.29 -39.28 93.6 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.571 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.68 -44.22 93.71 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 123.99 0.806 . . . . 0.0 109.677 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.907 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.79 -55.71 7.96 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.935 0.772 . . . . 0.0 112.68 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.441 ' N ' HD21 ' A' ' 34' ' ' ASN . 73.6 mt -64.33 -45.86 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -62.62 -42.79 99.79 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.447 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.0 t80 -60.81 -46.09 91.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.753 0.658 . . . . 0.0 110.109 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 98.3 m -62.47 -31.54 72.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.765 0.666 . . . . 0.0 111.717 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' ILE . 52.4 mt -76.59 -68.14 0.63 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.44 -42.07 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 124.217 0.948 . . . . 0.0 111.201 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.8 mt -61.37 -48.49 81.03 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 123.362 0.413 . . . . 0.0 110.372 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' B' ' 37' ' ' LEU . 17.6 mm -61.96 -42.72 95.86 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.284 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 51.8 m -55.34 -46.37 76.37 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.36 -33.66 75.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.965 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.77 -30.74 62.95 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' B' ' 47' ' ' ILE . 5.6 mp -65.38 -38.6 90.51 Favored 'General case' 0 C--N 1.367 1.35 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.82 -42.67 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -64.28 -37.25 86.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 123.898 0.749 . . . . 0.0 109.689 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 44' ' ' LEU . 55.4 mt -63.36 -42.0 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.548 HD12 ' HG3' ' C' ' 50' ' ' MET . 26.6 mm -64.26 -42.1 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.68 -43.19 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.519 ' HG3' HD12 ' A' ' 48' ' ' ILE . 87.3 mmm -66.48 -37.21 84.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.113 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.403 ' C ' HD23 ' B' ' 51' ' ' LEU . 9.8 tt -61.56 -42.55 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 CA--C 1.543 0.696 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.933 177.256 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -58.91 -36.48 74.78 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.56 -42.71 95.49 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.87 -43.52 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 123.857 0.723 . . . . 0.0 109.059 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -61.12 -44.97 96.52 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.423 1.077 . . . . 0.0 108.857 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.74 -40.1 95.89 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.423 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.482 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.6 tm? -62.32 -42.22 99.19 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 123.615 0.572 . . . . 0.0 109.482 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -62.58 -46.72 87.05 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -63.0 -41.72 99.66 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.113 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -63.12 -41.92 99.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.322 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.1 90.61 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.015 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.19 -42.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.992 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.454 ' HE ' HH22 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.63 -43.13 97.87 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.485 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.454 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER -65.57 -43.64 89.19 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.976 0.797 . . . . 0.0 110.015 178.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.91 90.08 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.112 0.883 . . . . 0.0 109.683 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -63.91 -50.78 67.39 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 tt -161.73 133.88 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.414 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 139.01 56.79 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.327 0.392 . . . . 0.0 110.055 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.507 ' H ' ' HD2' ' C' ' 21' ' ' PRO . 8.0 mtm -151.25 -58.33 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 124.19 0.931 . . . . 0.0 110.379 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' C' ' 20' ' ' MET . 63.7 Cg_endo -82.01 -179.78 5.02 Favored 'Trans proline' 0 N--CA 1.514 2.691 0 C-N-CA 122.674 2.249 . . . . 0.0 113.374 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.8 -44.4 81.34 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -137.5 -50.31 0.61 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.22 0.95 . . . . 0.0 109.262 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' C' ' 27' ' ' ASN . . . -148.63 153.13 37.88 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.901 0.751 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' D' ' 26' ' ' GLN . 15.8 mtp85 -80.83 76.84 7.74 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 123.008 1.385 . . . . 0.0 111.799 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.447 ' NE2' HE22 ' D' ' 26' ' ' GLN . 83.8 mt-30 47.23 43.18 14.48 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 111.976 -2.375 . . . . 0.0 109.167 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.607 ' HB2' ' HB1' ' C' ' 24' ' ' ALA . 5.8 t30 -61.47 -14.68 30.82 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.888 -1.505 . . . . 0.0 112.92 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.41 -49.13 78.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.443 ' HG2' HD12 ' C' ' 33' ' ' ILE . 53.9 tt0 -64.92 -39.07 92.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.876 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.58 -44.34 93.35 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.553 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.32 -43.85 98.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.031 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.53 -55.24 9.36 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.713 0.633 . . . . 0.0 112.694 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.443 HD12 ' HG2' ' C' ' 29' ' ' GLN . 73.9 mt -63.66 -47.14 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.918 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.405 HD21 ' N ' ' D' ' 33' ' ' ILE . 24.1 m120 -62.42 -41.64 98.85 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.676 0.61 . . . . 0.0 110.474 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.536 ' CE2' HD11 ' C' ' 39' ' ' LEU . 33.2 t80 -59.77 -47.0 87.42 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 123.395 0.435 . . . . 0.0 110.743 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.816 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -64.79 -32.66 74.45 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.602 0.564 . . . . 0.0 111.624 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' C' ' 40' ' ' ILE . 61.8 mt -70.5 -70.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 68.2 mt -34.81 -42.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 124.811 1.32 . . . . 0.0 110.221 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' C' ' 35' ' ' PHE . 24.9 mt -62.47 -48.52 79.26 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 177.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' B' ' 41' ' ' CYS . 10.2 mm -61.29 -43.2 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 123.919 0.762 . . . . 0.0 109.035 177.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 58.0 m -56.16 -46.0 79.48 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 54.7 mt -66.34 -33.37 75.57 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.946 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -74.48 -29.86 61.61 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.575 0.547 . . . . 0.0 111.429 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.3 mp -65.83 -38.49 89.05 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.85 -43.03 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.13 -37.45 87.48 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.65 0.594 . . . . 0.0 109.693 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' C' ' 44' ' ' LEU . 53.4 mt -63.1 -41.86 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' D' ' 50' ' ' MET . 25.9 mm -64.34 -42.01 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.74 -43.01 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.548 ' HG3' HD12 ' B' ' 48' ' ' ILE . 87.5 mmm -66.65 -37.0 83.91 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.965 178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.404 ' C ' HD23 ' C' ' 51' ' ' LEU . 9.8 tt -61.71 -42.48 99.0 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.054 177.216 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.61 -36.58 74.25 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.197 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.54 -42.89 95.45 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 124.174 0.922 . . . . 0.0 109.573 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.69 -43.88 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 124.113 0.883 . . . . 0.0 109.057 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.65 -45.44 94.07 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.113 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.66 -40.54 97.11 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.845 0.715 . . . . 0.0 109.497 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.6 tm? -61.79 -43.12 99.48 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -62.47 -46.13 89.92 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.41 -42.79 99.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.047 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 68.5 m -64.38 -40.23 95.41 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.092 0.87 . . . . 0.0 110.533 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.25 94.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.75 -42.44 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.902 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.5 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.47 -43.26 97.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.578 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.5 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -65.84 -43.57 88.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.949 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.91 89.87 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.765 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 51.1 p -64.03 -50.78 67.11 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.395 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 16.4 tt -161.58 133.96 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 123.989 0.806 . . . . 0.0 109.54 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 138.71 56.44 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.412 0.445 . . . . 0.0 109.976 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.498 ' H ' ' HD2' ' D' ' 21' ' ' PRO . 9.0 mtm -151.1 -58.34 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 124.143 0.902 . . . . 0.0 110.374 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.498 ' HD2' ' H ' ' D' ' 20' ' ' MET . 62.9 Cg_endo -82.0 179.46 5.58 Favored 'Trans proline' 0 N--CA 1.513 2.665 0 C-N-CA 122.598 2.199 . . . . 0.0 113.426 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.78 -43.22 84.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -137.8 -51.53 0.62 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.077 0.86 . . . . 0.0 109.164 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' D' ' 27' ' ' ASN . . . -148.83 153.62 38.35 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' E' ' 26' ' ' GLN . 15.7 mtp85 -80.34 77.51 7.1 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 122.306 1.051 . . . . 0.0 111.955 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.462 ' NE2' HE22 ' E' ' 26' ' ' GLN . 85.8 mt-30 47.28 42.8 14.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 112.262 -2.245 . . . . 0.0 108.732 -177.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.605 ' HB2' ' HB1' ' D' ' 24' ' ' ALA . 5.9 t30 -61.25 -14.5 26.51 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.979 -1.464 . . . . 0.0 113.532 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' D' ' 33' ' ' ILE . 54.0 tt0 -65.82 -38.54 89.19 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.491 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.85 -44.38 94.15 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 123.743 0.652 . . . . 0.0 109.485 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.53 -43.99 97.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.13 -54.86 11.12 Favored 'General case' 0 C--O 1.245 0.858 0 O-C-N 123.85 0.719 . . . . 0.0 112.364 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' D' ' 29' ' ' GLN . 71.9 mt -63.72 -47.5 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 123.169 0.293 . . . . 0.0 111.764 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.406 HD21 ' N ' ' E' ' 33' ' ' ILE . 24.6 m120 -63.36 -41.29 98.83 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.252 0.345 . . . . 0.0 110.598 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.7 t80 -57.43 -46.38 83.63 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.084 0.24 . . . . 0.0 111.042 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -62.77 -50.39 71.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.524 0.515 . . . . 0.0 109.722 179.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -58.8 -44.01 90.68 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.914 0.864 . . . . 0.0 110.532 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.24 -42.81 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.51 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.5 mt -60.61 -44.56 96.14 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.74 -44.4 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.6 m -57.09 -44.89 83.58 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 123.641 0.588 . . . . 0.0 110.09 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.81 -35.35 80.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.193 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' D' ' 43' ' ' LEU . 8.8 tp -74.41 -29.75 61.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.412 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.56 HD23 HD11 ' E' ' 47' ' ' ILE . 5.7 mp -66.19 -38.57 88.34 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.02 -42.96 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -64.01 -37.44 87.44 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.742 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 44' ' ' LEU . 51.8 mt -63.05 -41.89 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.533 HD12 ' HG3' ' E' ' 50' ' ' MET . 26.1 mm -64.3 -42.27 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.519 0.512 . . . . 0.0 109.669 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.46 -43.21 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.563 ' HG3' HD12 ' C' ' 48' ' ' ILE . 87.5 mmm -66.6 -36.89 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.088 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.54 -42.75 99.29 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.144 177.298 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.24 -36.47 73.25 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.5 -42.78 95.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.825 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.77 -43.79 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 124.042 0.839 . . . . 0.0 109.137 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.61 -45.35 94.36 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.482 1.114 . . . . 0.0 109.114 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.85 -40.33 96.31 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.352 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.479 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.7 tm? -61.78 -43.14 99.43 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -62.77 -46.18 89.21 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.993 0.808 . . . . 0.0 108.981 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.24 -42.75 99.6 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.088 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -40.4 95.94 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.553 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.05 94.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.556 0.535 . . . . 0.0 109.749 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.7 -42.47 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.887 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.489 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.5 ttp180 -60.63 -43.13 97.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.612 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.489 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -65.92 -43.61 87.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.948 0.78 . . . . 0.0 109.902 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.2 91.3 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 124.101 0.875 . . . . 0.0 109.687 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -64.15 -50.49 67.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.211 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 14.8 tt -161.91 132.89 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.704 0 O-C-N 124.04 0.837 . . . . 0.0 109.261 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 138.95 57.38 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.51 ' H ' ' HD2' ' E' ' 21' ' ' PRO . 8.5 mtm -150.29 -58.45 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 O-C-N 124.067 0.855 . . . . 0.0 110.215 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.51 ' HD2' ' H ' ' E' ' 20' ' ' MET . 61.6 Cg_endo -82.43 -179.0 4.31 Favored 'Trans proline' 0 N--CA 1.515 2.757 0 C-N-CA 122.72 2.28 . . . . 0.0 113.498 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.68 -44.18 82.45 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.24 -52.21 0.66 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 124.257 0.973 . . . . 0.0 108.986 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' E' ' 27' ' ' ASN . . . -147.62 152.98 38.79 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.702 0.626 . . . . 0.0 110.966 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -79.35 76.29 5.92 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 122.78 1.276 . . . . 0.0 111.714 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.462 HE22 ' NE2' ' D' ' 26' ' ' GLN . 86.3 mt-30 47.05 43.84 14.43 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.032 -2.349 . . . . 0.0 109.379 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.587 ' HB2' ' HB1' ' E' ' 24' ' ' ALA . 6.1 t30 -61.1 -14.65 25.72 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 113.939 -1.482 . . . . 0.0 113.066 -177.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.73 -48.66 80.8 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.422 ' HG2' HD12 ' E' ' 33' ' ' ILE . 54.1 tt0 -65.33 -39.08 91.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.724 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -59.88 -44.22 94.3 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.921 0.763 . . . . 0.0 109.48 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.24 -44.0 97.97 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.006 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.89 -54.61 12.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.422 HD12 ' HG2' ' E' ' 29' ' ' GLN . 73.0 mt -64.56 -46.79 91.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 123.57 0.544 . . . . 0.0 111.946 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.412 HD21 ' N ' ' A' ' 33' ' ' ILE . 24.5 m120 -63.38 -41.53 98.78 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.661 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.0 t80 -57.58 -46.14 84.35 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.505 0.503 . . . . 0.0 110.711 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.8 OUTLIER -63.55 -49.11 74.73 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.776 0.673 . . . . 0.0 109.806 179.243 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.52 -43.31 93.47 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.062 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 55.7 mt -61.22 -42.65 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 O-C-N 124.395 1.059 . . . . 0.0 108.185 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 29.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mm -63.97 -43.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.3 m -57.49 -45.52 84.78 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.46 -38.0 89.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.32 -51.28 61.66 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.65 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.3 mp -50.33 -38.16 40.51 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.871 0.305 . . . . 0.0 110.438 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.22 -44.14 99.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -65.93 -34.56 78.41 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.612 0.57 . . . . 0.0 110.071 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' E' ' 44' ' ' LEU . 81.5 mt -63.47 -41.82 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.559 HD12 ' HG3' ' A' ' 50' ' ' MET . 25.4 mm -64.13 -41.8 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.7 -42.74 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.533 ' HG3' HD12 ' D' ' 48' ' ' ILE . 87.3 mmm -66.23 -37.31 85.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.906 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.409 ' C ' HD23 ' E' ' 51' ' ' LEU . 9.7 tt -61.62 -42.72 99.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.811 177.571 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.07 -36.32 81.3 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.53 -42.25 95.86 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.427 178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.53 -45.31 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -60.79 -44.67 96.52 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.028 0.83 . . . . 0.0 109.79 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.4 -40.44 96.52 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 124.043 0.839 . . . . 0.0 109.183 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -62.05 -43.11 99.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.831 0.707 . . . . 0.0 109.167 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -62.82 -46.05 89.77 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.198 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.38 -42.12 99.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.972 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -64.69 -40.3 95.15 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.148 0.905 . . . . 0.0 110.366 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.58 95.45 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.704 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.37 -42.26 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.021 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.4 ttp180 -59.73 -43.73 94.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.306 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.453 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -65.7 -43.29 89.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 57.77 4.51 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.304 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -54.6 -21.6 10.89 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.48 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.9 tt -61.48 134.59 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 O-C-N 123.671 0.607 . . . . 0.0 110.116 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -142.12 159.42 42.26 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.831 0.707 . . . . 0.0 111.162 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -179.73 0.77 Allowed Pre-proline 0 CA--C 1.558 1.268 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.159 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HB3' HE22 ' A' ' 23' ' ' GLN . 32.9 Cg_exo -55.22 122.72 12.22 Favored 'Trans proline' 0 N--CA 1.507 2.281 0 C-N-CA 121.68 1.587 . . . . 0.0 110.144 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -60.75 -43.91 97.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -74.45 170.21 16.14 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -94.99 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 HH22 HE21 ' B' ' 26' ' ' GLN . 16.8 ttp85 70.87 179.89 0.24 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.683 0.754 . . . . 0.0 110.753 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.512 HE21 HH22 ' E' ' 25' ' ' ARG . 21.8 mt-30 -55.11 -48.41 73.66 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.792 -176.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -57.6 -51.84 67.85 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.51 -47.14 79.98 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 123.328 0.392 . . . . 0.0 110.2 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -58.38 -44.89 89.07 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.376 0.423 . . . . 0.0 110.106 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.77 -41.04 98.04 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.1 -33.79 76.21 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.57 -27.83 68.72 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.747 HG23 ' CD1' ' E' ' 37' ' ' LEU . 87.6 mt -63.57 -43.43 98.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.96 -42.22 93.6 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.111 0.882 . . . . 0.0 109.621 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -59.63 -44.38 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.3 t -68.82 -35.75 77.36 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.352 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' B' ' 33' ' ' ILE . 17.5 mt -67.82 -43.67 79.08 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 122.452 1.12 . . . . 0.0 109.654 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -61.32 -42.66 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 112.988 -1.914 . . . . 0.0 109.103 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.39 -44.29 96.79 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.162 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 HD13 ' E' ' 44' ' ' LEU . 1.4 mm -63.87 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 72.9 m -56.45 -48.94 75.99 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 45' ' ' ILE . 56.0 mt -62.6 -39.31 93.37 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.569 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 15.2 tp -75.36 -26.36 58.46 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.712 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 40' ' ' ILE . 3.1 mt -72.25 -34.69 68.46 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 42' ' ' LEU . 57.8 mt -62.02 -41.07 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.0 m -62.32 -40.83 97.61 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG13 HD11 ' E' ' 48' ' ' ILE . 96.9 mt -64.43 -43.35 96.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.534 HD11 HG13 ' B' ' 47' ' ' ILE . 1.7 mm -62.35 -44.44 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.142 0.901 . . . . 0.0 110.186 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 45' ' ' ILE . 45.9 t -62.25 -45.64 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 124.007 0.817 . . . . 0.0 109.256 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mmm -62.54 -53.16 58.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 tp -54.04 -38.87 65.65 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.802 0.841 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.05 177.592 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.55 -36.23 81.97 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.61 -42.02 95.8 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.468 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.65 -44.99 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.53 -44.06 97.73 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.953 0.783 . . . . 0.0 109.692 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.47 -40.21 95.91 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.827 0.704 . . . . 0.0 109.304 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.8 OUTLIER -62.15 -43.28 99.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -62.54 -46.38 88.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.23 -42.64 99.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.07 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -64.08 -40.77 96.98 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.044 0.84 . . . . 0.0 110.417 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.42 94.48 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.51 -42.58 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.062 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.481 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.6 ttp180 -60.11 -43.37 95.64 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.698 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.481 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -66.19 -43.29 87.23 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.87 88.94 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.975 0.797 . . . . 0.0 110.439 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . 0.426 ' OG ' HG22 ' B' ' 18' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -63.46 -22.19 66.74 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.137 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.426 HG22 ' OG ' ' B' ' 16' ' ' SEP . 20.8 tt -61.76 135.8 25.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 123.727 0.642 . . . . 0.0 110.846 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -143.31 159.27 42.65 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.85 0.719 . . . . 0.0 110.996 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -179.2 0.71 Allowed Pre-proline 0 CA--C 1.561 1.366 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.355 177.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.408 ' HB3' HE22 ' B' ' 23' ' ' GLN . 35.5 Cg_exo -55.66 122.06 11.06 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 C-N-CA 121.845 1.697 . . . . 0.0 110.034 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.02 -44.36 94.64 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.186 0.517 . . . . 0.0 109.881 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.42 ' CD ' ' H ' ' B' ' 23' ' ' GLN . 0.0 OUTLIER -74.3 170.27 15.95 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.017 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 -94.51 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.48 ' HG2' ' H ' ' B' ' 26' ' ' GLN . 17.4 ttp85 71.26 178.36 0.25 Allowed 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.286 1.041 . . . . 0.0 110.502 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.502 HE21 HH22 ' A' ' 25' ' ' ARG . 21.2 mt-30 -54.28 -48.25 71.45 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.232 -1.349 . . . . 0.0 113.141 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.403 HD22 ' HD2' ' B' ' 21' ' ' PRO . 49.8 t30 -57.68 -51.73 68.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 118.597 0.635 . . . . 0.0 112.684 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.19 -46.69 79.73 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.673 0.608 . . . . 0.0 109.903 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -58.55 -44.57 89.71 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 122.695 0.398 . . . . 0.0 110.255 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.86 -40.8 97.4 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.87 -34.61 77.74 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -65.33 -27.7 68.78 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.464 0.477 . . . . 0.0 109.786 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.764 HG23 ' CD1' ' A' ' 37' ' ' LEU . 84.5 mt -63.28 -43.71 98.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -60.24 -41.94 94.22 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.809 0.693 . . . . 0.0 109.733 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.74 -44.88 93.59 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.545 0.528 . . . . 0.0 109.615 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 t -68.31 -37.21 80.37 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 123.714 0.634 . . . . 0.0 111.054 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.755 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.0 mt -66.86 -43.61 83.14 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.6 mt -60.43 -42.17 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 125.349 1.656 . . . . 0.0 108.379 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.67 -43.75 95.77 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.554 HG22 HD12 ' B' ' 44' ' ' LEU . 1.3 mm -63.18 -42.09 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.0 m -58.59 -48.74 79.93 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 45' ' ' ILE . 56.1 mt -61.84 -40.98 97.2 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.928 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.2 tp -66.58 -50.76 62.03 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.554 HD12 HG22 ' B' ' 40' ' ' ILE . 2.3 mt -52.98 -33.72 52.67 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 117.963 0.347 . . . . 0.0 110.855 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 42' ' ' LEU . 54.6 mt -62.9 -42.02 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.8 m -64.59 -37.57 88.03 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 48' ' ' ILE . 89.0 mt -64.07 -43.83 97.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.455 HD11 HG13 ' C' ' 47' ' ' ILE . 1.8 mm -61.79 -44.23 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 O-C-N 124.588 1.18 . . . . 0.0 110.232 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.44 -44.63 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 79.9 mmm -67.0 -32.01 72.95 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.813 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -40.9 77.0 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 CA--C 1.543 0.708 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.327 178.644 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -63.12 -36.52 83.89 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.64 -41.81 95.89 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.509 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.63 -44.62 98.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 124.28 0.988 . . . . 0.0 108.684 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.81 -43.89 97.94 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.997 0.811 . . . . 0.0 109.751 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.71 -39.78 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 124.009 0.818 . . . . 0.0 109.153 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.472 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.8 OUTLIER -62.44 -42.75 99.68 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.867 0.73 . . . . 0.0 109.203 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.83 -46.67 86.86 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.69 -41.53 99.15 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.117 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.09 -42.09 99.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.06 90.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.253 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.19 -42.7 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.108 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.474 HH21 HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.27 -43.3 96.32 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.379 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.474 HH22 HH21 ' C' ' 13' ' ' ARG . 0.3 OUTLIER -66.02 -43.15 88.49 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.204 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.87 88.95 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.948 0.78 . . . . 0.0 110.399 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . 0.4 ' OG ' HG22 ' C' ' 18' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -63.4 -22.45 66.89 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.147 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.4 HG22 ' OG ' ' C' ' 16' ' ' SEP . 20.7 tt -61.42 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 123.439 0.462 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -143.38 159.03 43.13 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.901 0.751 . . . . 0.0 111.067 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 179.9 0.89 Allowed Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.132 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.69 122.19 11.31 Favored 'Trans proline' 0 N--CA 1.507 2.285 0 C-N-CA 121.827 1.684 . . . . 0.0 110.13 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -60.25 -42.39 95.21 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' C' ' 23' ' ' GLN . 0.0 OUTLIER -76.62 163.32 26.98 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.027 176.241 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -83.38 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 O-C-N 123.39 0.431 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.563 HH22 HE21 ' D' ' 26' ' ' GLN . 27.9 ttp85 72.82 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 122.931 0.492 . . . . 0.0 111.63 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.46 HE21 HH22 ' B' ' 25' ' ' ARG . 4.9 mt-30 -89.51 -48.5 7.27 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.641 0.588 . . . . 0.0 112.574 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.01 -51.04 70.82 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.67 -45.36 87.05 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 124.005 0.816 . . . . 0.0 109.774 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -59.38 -43.85 92.83 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.57 -41.37 98.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.98 -34.52 77.71 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.786 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -65.26 -26.86 68.28 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' B' ' 37' ' ' LEU . 89.5 mt -63.16 -44.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.36 -42.06 94.97 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.816 0.698 . . . . 0.0 109.389 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -59.2 -43.48 92.22 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.599 0.562 . . . . 0.0 109.819 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.824 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -50.8 65.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.044 0.84 . . . . 0.0 109.526 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.746 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.8 mt -56.82 -44.75 82.33 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.497 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.52 -43.82 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 125.068 1.48 . . . . 0.0 108.083 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.93 -43.63 98.27 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' B' ' 41' ' ' CYS . 3.5 mm -62.75 -44.28 99.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.1 m -56.65 -47.12 80.46 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.989 0.515 . . . . 0.0 109.744 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' C' ' 45' ' ' ILE . 57.2 mt -62.68 -35.47 79.79 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.594 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -78.37 -28.21 47.03 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.131 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.526 ' HB3' HD23 ' D' ' 43' ' ' LEU . 2.7 mp -70.12 -35.61 74.23 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' C' ' 42' ' ' LEU . 64.0 mt -61.03 -41.6 89.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.0 -41.55 98.19 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.455 HG13 HD11 ' B' ' 48' ' ' ILE . 63.7 mt -65.79 -42.17 91.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.524 HD11 HG13 ' D' ' 47' ' ' ILE . 1.6 mm -60.51 -44.94 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.027 0.83 . . . . 0.0 109.739 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.65 -44.94 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 72.5 mmm -66.14 -31.72 72.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.181 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 38.9 tp -74.19 -38.75 63.53 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.455 0.702 . . . . 0.0 109.155 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 CA--C 1.543 0.696 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.267 178.366 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -62.5 -36.16 81.66 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.59 -42.02 95.85 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.33 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.57 -44.97 98.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.172 0.92 . . . . 0.0 109.74 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.42 -40.28 96.02 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 123.818 0.699 . . . . 0.0 109.272 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.8 OUTLIER -62.29 -43.1 99.61 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.817 0.698 . . . . 0.0 109.123 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -62.76 -46.16 89.34 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.27 -42.65 99.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.101 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -64.01 -40.79 97.13 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.993 0.808 . . . . 0.0 110.463 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.29 94.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.485 0.491 . . . . 0.0 109.716 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.54 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.013 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.6 ttp180 -60.22 -43.42 96.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.601 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -66.06 -43.33 87.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.029 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.14 89.99 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.538 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 24.9 m -63.34 -22.33 66.81 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 tt -61.5 135.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 O-C-N 123.569 0.543 . . . . 0.0 110.812 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -143.3 158.96 43.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.054 0.846 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -179.65 0.81 Allowed Pre-proline 0 CA--C 1.562 1.426 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.176 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.407 ' HB3' HE22 ' D' ' 23' ' ' GLN . 31.6 Cg_exo -55.52 122.34 11.56 Favored 'Trans proline' 0 N--CA 1.504 2.145 0 C-N-CA 121.715 1.61 . . . . 0.0 110.05 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' D' ' 23' ' ' GLN . 0.0 OUTLIER -74.43 170.2 16.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.99 -95.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.333 0.587 . . . . 0.0 110.021 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.513 HH22 HE21 ' E' ' 26' ' ' GLN . 16.5 ttp85 70.9 179.01 0.25 Allowed 'General case' 0 C--N 1.369 1.43 0 O-C-N 121.422 -0.799 . . . . 0.0 110.591 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.563 HE21 HH22 ' C' ' 25' ' ' ARG . 19.5 mt-30 -55.65 -47.38 76.76 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 114.514 -1.221 . . . . 0.0 113.237 -176.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.62 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.737 0.699 . . . . 0.0 112.473 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.13 -46.35 84.52 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -59.21 -44.37 92.27 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.66 -41.18 98.22 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.73 -34.1 76.48 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.57 -26.98 68.1 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' C' ' 37' ' ' LEU . 89.9 mt -63.37 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' D' ' 37' ' ' LEU . 14.2 m120 -59.42 -42.1 91.07 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.389 1.056 . . . . 0.0 109.826 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.93 -44.03 94.59 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.525 0.515 . . . . 0.0 109.779 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 1.7 t -69.56 -34.73 74.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.59 0.556 . . . . 0.0 111.712 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.752 ' CD1' HG23 ' E' ' 33' ' ' ILE . 15.5 mt -69.6 -43.87 71.89 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -60.49 -41.2 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.882 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 22.3 mt -64.45 -43.27 94.77 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.325 1.016 . . . . 0.0 108.743 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.526 HD12 HD13 ' C' ' 44' ' ' LEU . 10.6 mm -64.17 -42.57 95.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.4 m -57.66 -48.76 78.6 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.96 0.787 . . . . 0.0 109.3 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' D' ' 45' ' ' ILE . 56.9 mt -62.38 -41.65 98.8 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.669 1.23 . . . . 0.0 110.453 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.4 tp -66.17 -50.3 64.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.575 HD13 HG23 ' E' ' 40' ' ' ILE . 9.3 mt -50.92 -35.51 33.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.868 0.467 . . . . 0.0 110.807 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' D' ' 42' ' ' LEU . 57.1 mt -62.83 -42.09 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.6 m -64.56 -37.72 88.55 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.524 HG13 HD11 ' C' ' 48' ' ' ILE . 68.6 mt -63.98 -43.39 97.64 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.518 HD11 HG13 ' E' ' 47' ' ' ILE . 1.6 mm -63.11 -45.03 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 124.194 0.934 . . . . 0.0 110.142 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.67 -45.26 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.191 0.932 . . . . 0.0 109.052 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.3 -31.29 72.35 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.195 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.11 -38.8 63.71 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 CA--C 1.546 0.792 0 O-C-N 124.768 1.292 . . . . 0.0 110.4 178.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.14 -36.14 80.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -64.63 -42.01 95.77 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.511 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.71 -45.35 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -60.58 -44.6 96.04 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.109 0.881 . . . . 0.0 109.584 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -62.48 -40.39 96.52 Favored 'General case' 0 C--O 1.221 -0.441 0 O-C-N 123.965 0.791 . . . . 0.0 109.316 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.442 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.8 OUTLIER -61.94 -43.26 99.21 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.8 -46.19 89.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.204 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.19 -42.83 99.65 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.001 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.137 0.898 . . . . 0.0 110.511 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.26 94.25 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.809 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.8 mt -64.67 -42.46 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.029 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.475 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.6 ttp180 -60.29 -43.38 96.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.577 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.475 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -66.0 -43.43 87.78 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.092 178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.99 89.4 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.042 0.839 . . . . 0.0 110.444 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -63.48 -22.27 66.79 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.167 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 tt -61.71 135.78 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 123.725 0.641 . . . . 0.0 110.701 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -143.43 158.96 43.22 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.883 0.739 . . . . 0.0 111.049 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -179.66 0.77 Allowed Pre-proline 0 CA--C 1.556 1.187 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.227 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.405 ' HB3' HE22 ' E' ' 23' ' ' GLN . 31.6 Cg_exo -55.6 122.65 12.12 Favored 'Trans proline' 0 N--CA 1.508 2.356 0 C-N-CA 121.52 1.48 . . . . 0.0 110.336 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -60.67 -44.27 96.68 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' E' ' 23' ' ' GLN . 0.0 OUTLIER -74.0 169.9 16.53 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 108.121 175.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.61 -95.03 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.512 HH22 HE21 ' A' ' 26' ' ' GLN . 16.5 ttp85 70.58 179.55 0.24 Allowed 'General case' 0 CA--C 1.558 1.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.382 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.513 HE21 HH22 ' D' ' 25' ' ' ARG . 23.3 mt-30 -55.15 -47.77 74.66 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.887 -177.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -57.59 -52.7 64.36 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.598 0.636 . . . . 0.0 112.683 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.19 -46.38 84.18 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.027 0.83 . . . . 0.0 110.127 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -59.11 -44.87 92.0 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.55 -41.44 98.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.31 -34.11 75.98 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -65.34 -27.39 68.55 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.752 HG23 ' CD1' ' D' ' 37' ' ' LEU . 87.7 mt -63.21 -43.93 99.04 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.68 -41.73 91.33 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.963 0.789 . . . . 0.0 109.628 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -59.89 -43.74 94.62 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.723 0.639 . . . . 0.0 109.962 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.865 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -65.09 -48.76 72.56 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.973 0.796 . . . . 0.0 109.901 178.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.747 ' CD1' HG23 ' A' ' 33' ' ' ILE . 16.6 mt -57.7 -44.96 86.26 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.336 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 53.9 mt -61.91 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.551 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.96 -44.65 96.31 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.575 HG23 HD13 ' D' ' 44' ' ' LEU . 66.9 mt -66.29 -40.81 87.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.726 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -56.2 -47.67 77.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.1 mt -62.56 -40.84 98.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.561 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' D' ' 44' ' ' LEU . 12.9 tp -65.98 -50.57 63.85 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 40' ' ' ILE . 2.6 mt -53.37 -33.48 53.83 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.322 0.249 . . . . 0.0 110.652 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' E' ' 42' ' ' LEU . 56.3 mt -62.66 -41.58 92.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.93 -37.65 88.34 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.518 HG13 HD11 ' D' ' 48' ' ' ILE . 83.8 mt -63.99 -43.46 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 47' ' ' ILE . 1.8 mm -63.36 -44.54 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.215 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.429 HG23 ' O ' ' E' ' 45' ' ' ILE . 46.7 t -62.06 -45.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 O-C-N 123.926 0.766 . . . . 0.0 109.293 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mmm -62.08 -53.19 59.0 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.06 -39.43 66.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.05 177.663 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -62.43 -37.3 85.3 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.725 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.84 -45.0 96.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 124.163 0.915 . . . . 0.0 109.034 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.03 -41.31 99.49 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.025 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -62.1 -40.56 96.26 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 123.94 0.775 . . . . 0.0 109.185 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.99 -42.74 99.47 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -62.62 -45.79 91.22 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.94 -41.46 99.51 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -63.69 -40.29 96.43 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.427 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.46 93.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.749 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.5 -42.5 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.132 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.1 ttp180 -59.26 -42.43 91.14 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.583 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.494 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -66.68 -42.02 87.15 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.89 0.744 . . . . 0.0 109.468 178.662 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.64 25.99 1.37 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.921 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -154.91 8.09 0.29 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.073 0.858 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.94 97.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -138.92 160.58 39.39 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.62 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.1 161.34 9.5 Favored Pre-proline 0 N--CA 1.477 0.908 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.889 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.5 111.53 0.47 Allowed 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.719 1.613 . . . . 0.0 112.407 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -62.97 -24.5 67.92 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.398 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.67 -22.05 61.39 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.02 -53.85 0.7 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.976 1.311 . . . . 0.0 111.087 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -53.43 -50.95 64.14 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 122.57 1.176 . . . . 0.0 109.658 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.2 -41.73 79.94 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 112.962 -1.926 . . . . 0.0 109.512 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.75 -27.19 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.678 0.611 . . . . 0.0 111.937 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 1.6 mm? -61.76 -42.37 98.89 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' A' ' 33' ' ' ILE . 52.4 tt0 -61.53 -40.13 93.55 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 118.185 0.448 . . . . 0.0 109.932 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.34 -42.28 99.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.006 0.816 . . . . 0.0 109.159 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.81 -42.28 98.82 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.872 0.733 . . . . 0.0 111.104 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 9.2 m-85 -75.0 -59.44 2.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.654 HG23 HD11 ' E' ' 37' ' ' LEU . 74.2 mt -63.24 -47.34 92.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.241 0.473 . . . . 0.0 110.443 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 62.2 t80 -56.47 -44.27 80.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.67 -53.69 37.77 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.641 1.213 . . . . 0.0 110.183 178.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD1' HG23 ' B' ' 33' ' ' ILE . 20.5 mt -55.08 -46.95 75.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.398 1.094 . . . . 0.0 110.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -57.8 -42.15 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.035 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 28.3 mt -62.86 -42.22 99.67 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.787 HD11 ' SG ' ' E' ' 41' ' ' CYS . 21.5 mm -64.14 -43.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.309 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 67.9 m -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 0.0 109.356 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.08 -40.17 94.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.591 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.52 -29.03 62.21 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 123.803 0.69 . . . . 0.0 111.558 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.2 mt -67.91 -40.24 83.45 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -42.64 96.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 CA-C-N 114.57 -1.195 . . . . 0.0 107.988 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.7 m -63.19 -38.74 92.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.921 0.763 . . . . 0.0 109.986 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 44' ' ' LEU . 35.0 mt -62.09 -43.52 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.576 ' CD1' HD11 ' B' ' 43' ' ' LEU . 75.0 mt -64.68 -42.59 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 O-C-N 123.906 0.754 . . . . 0.0 110.168 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.51 -44.66 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 123.763 0.664 . . . . 0.0 109.226 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.1 mmm -66.62 -36.3 82.26 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.229 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.68 -42.05 98.07 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.216 -0.684 0 O-C-N 124.276 0.985 . . . . 0.0 110.312 179.597 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.08 -37.85 88.82 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.15 -41.88 94.31 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.829 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.74 -45.04 96.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.127 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.04 -41.39 99.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.16 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.92 -40.89 97.06 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.368 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.6 -46.47 88.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.82 -41.05 99.14 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.108 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -63.19 -40.44 97.51 Favored 'General case' 0 C--O 1.223 -0.323 0 O-C-N 124.012 0.82 . . . . 0.0 110.119 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.09 84.19 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.274 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.81 -44.93 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.818 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.478 ' HE ' HH12 ' B' ' 14' ' ' ARG . 11.6 ptt180 -70.46 -28.71 65.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.478 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.2 tpp180 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.8 -47.72 74.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.942 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.66 6.94 1.45 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.982 0.913 . . . . 0.0 109.113 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.84 96.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -139.19 161.24 37.9 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.56 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 3.1 mtt -59.05 161.08 9.8 Favored Pre-proline 0 CA--C 1.547 0.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -47.96 111.13 0.39 Allowed 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 121.759 1.639 . . . . 0.0 112.343 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.52 -23.91 67.59 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.258 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.24 -21.73 62.2 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.91 -53.65 0.7 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.218 1.407 . . . . 0.0 111.008 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -54.01 -49.59 68.53 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 122.378 1.085 . . . . 0.0 109.528 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -57.59 -41.96 82.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.724 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.9 -26.46 65.11 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.9 0.75 . . . . 0.0 112.274 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' B' ' 28' ' ' LEU . 1.9 mm? -62.12 -41.94 98.74 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.409 ' HG2' HD12 ' B' ' 33' ' ' ILE . 52.4 tt0 -61.85 -39.75 92.95 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.25 -43.34 99.05 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.002 0.814 . . . . 0.0 109.237 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.27 -42.64 98.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.205 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' B' ' 28' ' ' LEU . 9.7 m-85 -74.35 -59.54 2.68 Favored 'General case' 0 C--O 1.244 0.812 0 O-C-N 123.708 0.63 . . . . 0.0 112.532 -178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 37' ' ' LEU . 72.3 mt -63.22 -47.12 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -176.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -61.71 -41.02 97.06 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.44 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 55.6 t80 -56.63 -44.41 81.2 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.702 0.626 . . . . 0.0 109.378 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.884 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.7 OUTLIER -66.49 -52.64 43.86 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.02 0.825 . . . . 0.0 110.877 178.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.629 HD11 HG23 ' C' ' 33' ' ' ILE . 34.5 mt -55.92 -44.46 78.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.41 0.624 . . . . 0.0 110.78 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.45 -42.97 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.126 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.5 mt -62.62 -41.73 99.18 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.513 0.508 . . . . 0.0 110.055 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 44' ' ' LEU . 5.5 mm -63.16 -44.75 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 86.1 m -57.07 -47.98 79.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.86 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.74 -43.49 96.35 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.571 -1.195 . . . . 0.0 111.054 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 48' ' ' ILE . 23.3 tp -65.36 -48.41 73.05 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' B' ' 47' ' ' ILE . 14.1 mt -51.91 -39.55 59.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.515 0.326 . . . . 0.0 110.28 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.36 -43.42 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.34 -34.7 78.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.933 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' B' ' 44' ' ' LEU . 74.6 mt -62.67 -42.64 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.574 HD11 HG12 ' C' ' 47' ' ' ILE . 24.6 mm -63.24 -43.56 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.896 0.748 . . . . 0.0 109.339 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.75 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 123.634 0.584 . . . . 0.0 109.838 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.7 mmm -66.57 -37.1 84.23 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.154 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.69 -41.85 98.07 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 CA--C 1.542 0.637 0 O-C-N 124.311 1.007 . . . . 0.0 110.538 179.686 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.54 -37.79 88.66 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.77 -41.77 91.66 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.118 0.886 . . . . 0.0 109.657 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.88 -44.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 124.424 1.078 . . . . 0.0 108.705 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.49 -43.45 98.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.325 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.78 -40.41 95.09 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 124.2 0.937 . . . . 0.0 109.264 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.429 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.01 -43.01 99.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -62.22 -46.29 89.54 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.91 -41.37 99.42 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.103 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -63.77 -40.49 96.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.425 0.69 . . . . 0.0 110.306 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.33 92.98 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.51 -42.38 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.708 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.506 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -60.44 -41.96 95.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.506 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.3 OUTLIER -65.69 -44.01 87.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.053 179.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.11 72.34 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 123.952 0.783 . . . . 0.0 110.121 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -144.69 7.56 1.27 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.199 1.0 . . . . 0.0 108.953 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 96.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.734 0.814 . . . . 0.0 108.95 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -139.04 161.04 38.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.408 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.05 161.24 9.53 Favored Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -48.02 110.95 0.37 Allowed 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.875 1.717 . . . . 0.0 112.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -63.1 -23.55 67.49 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.527 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.92 -21.4 63.35 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.24 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.31 -54.51 0.69 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.288 1.435 . . . . 0.0 110.852 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -53.97 -49.95 67.63 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.742 0.782 . . . . 0.0 110.128 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.79 -41.73 78.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.302 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -69.38 -26.95 64.91 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.914 0.759 . . . . 0.0 112.565 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' C' ' 28' ' ' LEU . 1.7 mm? -61.77 -42.37 98.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.536 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.434 ' HG2' HD12 ' C' ' 33' ' ' ILE . 51.7 tt0 -61.15 -40.05 92.4 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.4 -43.18 99.44 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.57 -42.28 98.63 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.252 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.445 ' CZ ' HD12 ' C' ' 28' ' ' LEU . 10.1 m-85 -75.24 -58.65 3.15 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.765 0.665 . . . . 0.0 112.185 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.629 HG23 HD11 ' B' ' 37' ' ' LEU . 70.3 mt -63.75 -47.28 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -62.2 -40.62 96.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.308 0.504 . . . . 0.0 110.477 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 60.8 t80 -56.74 -44.9 82.16 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.874 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -52.75 45.05 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.893 0.746 . . . . 0.0 110.433 178.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' D' ' 33' ' ' ILE . 33.6 mt -54.94 -45.9 74.89 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.896 0.855 . . . . 0.0 110.342 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.75 -42.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 113.72 -1.582 . . . . 0.0 108.855 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.4 mt -61.29 -42.17 98.21 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.454 HD11 ' SG ' ' B' ' 41' ' ' CYS . 6.0 mm -63.29 -43.87 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 62.7 m -55.97 -49.09 74.54 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 123.739 0.649 . . . . 0.0 109.485 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.65 -40.62 95.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 30.7 tp -72.47 -28.34 62.86 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.588 0.555 . . . . 0.0 111.694 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' C' ' 47' ' ' ILE . 10.7 mt -68.61 -40.12 80.56 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.2 -42.3 95.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.6 -37.71 87.34 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.691 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.574 HG12 HD11 ' B' ' 48' ' ' ILE . 37.0 mt -62.43 -42.97 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.576 HD11 HG12 ' D' ' 47' ' ' ILE . 23.5 mm -63.1 -43.96 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 123.813 0.696 . . . . 0.0 109.645 178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.81 -45.99 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.842 0.714 . . . . 0.0 110.013 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mmm -66.38 -37.48 85.38 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.903 0.752 . . . . 0.0 110.199 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.42 -41.83 98.72 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.342 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.213 -0.859 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.39 179.569 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.74 -37.84 88.15 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.03 -41.91 94.85 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.723 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.11 -44.86 95.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 124.294 0.997 . . . . 0.0 108.997 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -62.98 -41.44 99.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 124.248 0.968 . . . . 0.0 108.948 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.94 -40.6 96.1 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.278 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.43 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.09 -42.54 99.32 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -62.5 -46.04 90.27 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.127 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.93 -41.3 99.43 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.257 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -63.77 -40.51 96.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.957 0.786 . . . . 0.0 110.359 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.38 93.45 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.47 -42.5 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.798 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.511 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.25 -42.21 94.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.813 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.511 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.3 OUTLIER -65.72 -43.95 87.52 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.024 0.828 . . . . 0.0 110.092 179.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.89 -50.0 72.62 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.901 0.751 . . . . 0.0 110.258 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 7.72 1.28 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.181 0.993 . . . . 0.0 108.897 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 37.2 mm -61.27 97.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -139.39 162.04 35.99 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.486 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 3.3 mtt -60.1 161.36 13.01 Favored Pre-proline 0 N--CA 1.477 0.922 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -48.54 111.18 0.42 Allowed 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 121.754 1.636 . . . . 0.0 112.355 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.86 -24.62 67.89 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.192 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.79 -21.88 61.41 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.311 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.11 -54.23 0.7 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.645 1.178 . . . . 0.0 111.12 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -53.72 -50.22 66.41 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.246 1.022 . . . . 0.0 109.815 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -56.66 -42.0 78.19 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 113.134 -1.848 . . . . 0.0 109.388 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.87 -27.1 64.54 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.971 0.794 . . . . 0.0 112.559 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' D' ' 28' ' ' LEU . 1.6 mm? -61.61 -41.97 98.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.435 ' NE2' HE22 ' E' ' 29' ' ' GLN . 52.2 tt0 -61.7 -40.4 94.88 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.11 -42.37 99.16 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.04 0.838 . . . . 0.0 109.274 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.82 -42.1 98.6 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.451 ' CZ ' HD12 ' D' ' 28' ' ' LEU . 9.8 m-85 -75.84 -59.15 2.88 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.706 0.629 . . . . 0.0 112.513 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' C' ' 37' ' ' LEU . 70.2 mt -63.13 -47.23 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -62.13 -40.4 95.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.111 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.454 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 68.3 t80 -58.15 -44.41 87.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.904 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -64.59 -57.58 8.72 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 124.144 0.902 . . . . 0.0 109.598 178.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.613 HD11 HG23 ' E' ' 33' ' ' ILE . 13.8 mt -46.46 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 75.0 mt -33.94 -45.18 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.566 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 30.6 mt -63.4 -43.53 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.499 HG23 ' CD1' ' C' ' 44' ' ' LEU . 6.5 mm -60.37 -43.67 94.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 29.8 m -57.28 -48.49 78.77 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.35 -38.41 90.02 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.862 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.71 -29.06 62.05 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 123.525 0.516 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mt -68.02 -40.82 82.85 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.83 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.98 -38.61 91.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' D' ' 44' ' ' LEU . 37.8 mt -62.74 -42.56 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' E' ' 43' ' ' LEU . 1.0 OUTLIER -62.11 -45.03 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.61 -45.48 95.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 123.836 0.71 . . . . 0.0 110.395 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.98 -37.13 85.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.1 -41.91 99.48 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.882 0.739 . . . . 0.0 109.036 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.216 -0.692 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.348 179.463 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.23 -38.08 85.35 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.38 -41.5 93.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.437 1.086 . . . . 0.0 109.727 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.92 -41.35 99.43 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.168 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -40.41 95.79 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 124.007 0.817 . . . . 0.0 109.145 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.415 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.72 99.53 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -62.25 -46.19 89.92 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.326 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -62.79 -41.3 99.21 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.171 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -64.06 -40.22 95.79 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.878 0.736 . . . . 0.0 110.26 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.39 92.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.15 -42.78 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.877 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.15 -42.06 94.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.741 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.3 OUTLIER -65.95 -43.8 86.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.067 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.06 72.6 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 123.966 0.791 . . . . 0.0 110.145 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -144.73 7.38 1.25 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.162 0.985 . . . . 0.0 108.913 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.93 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.658 0.783 . . . . 0.0 108.925 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -138.99 160.89 38.69 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.615 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 3.1 mtt -59.08 161.01 10.07 Favored Pre-proline 0 N--CA 1.478 0.956 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -47.91 111.07 0.38 Allowed 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.67 1.58 . . . . 0.0 112.48 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -63.2 -24.2 67.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.146 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.39 -21.61 62.38 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.32 1.013 . . . . 0.0 110.109 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.25 -54.44 0.69 Allowed 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.726 1.21 . . . . 0.0 111.244 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -53.57 -50.24 65.99 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 122.038 0.923 . . . . 0.0 110.09 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -58.15 -41.13 83.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.717 -2.038 . . . . 0.0 108.788 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.38 -26.34 64.61 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' E' ' 28' ' ' LEU . 2.1 mm? -61.36 -42.84 99.36 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.435 HE22 ' NE2' ' D' ' 29' ' ' GLN . 51.1 tt0 -61.19 -40.2 93.04 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.8 -43.19 99.35 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.48 -42.32 98.61 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.25 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.431 ' CZ ' HD12 ' E' ' 28' ' ' LEU . 10.4 m-85 -74.78 -59.13 2.87 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.679 0.612 . . . . 0.0 112.44 -178.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.613 HG23 HD11 ' D' ' 37' ' ' LEU . 68.1 mt -63.1 -47.53 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -61.12 -40.96 95.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.119 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 62.5 t80 -58.04 -44.25 87.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.672 0.608 . . . . 0.0 109.489 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -64.23 -58.51 6.37 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.387 1.054 . . . . 0.0 109.499 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 33' ' ' ILE . 15.8 mt -46.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -35.41 -44.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 O-C-N 125.164 1.54 . . . . 0.0 110.606 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 31.5 mt -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 118.131 0.423 . . . . 0.0 110.531 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' D' ' 41' ' ' CYS . 6.0 mm -60.29 -44.32 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.802 0.689 . . . . 0.0 109.275 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.7 m -56.86 -47.14 81.11 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.961 0.788 . . . . 0.0 109.439 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.84 -41.49 95.67 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.467 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' D' ' 48' ' ' ILE . 32.0 tp -73.66 -26.14 60.6 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.36 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.715 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.0 mt -68.46 -39.87 81.28 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.23 -42.18 94.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . 0.454 ' HB2' HD12 ' E' ' 43' ' ' LEU . 97.8 m -63.3 -36.45 83.72 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.715 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' E' ' 44' ' ' LEU . 48.9 mt -62.04 -42.77 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.493 HD11 HG12 ' A' ' 47' ' ' ILE . 23.0 mm -62.95 -44.19 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.807 0.692 . . . . 0.0 109.775 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.72 -46.46 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 123.641 0.588 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mmm -67.37 -36.53 81.55 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.19 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.36 -41.68 98.84 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.894 0.746 . . . . 0.0 109.135 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.44 179.503 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -57.61 -32.63 67.42 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.512 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.61 -42.36 95.58 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.523 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.18 -43.52 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.818 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.79 -38.9 87.42 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.6 -39.85 85.56 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.983 0.802 . . . . 0.0 109.731 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.4 tm? -62.88 -43.24 99.32 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -63.63 -46.23 86.63 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.228 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -63.1 -38.21 90.29 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.286 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -62.53 -42.82 99.77 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 123.997 0.811 . . . . 0.0 109.55 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.81 93.15 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.808 0.693 . . . . 0.0 110.217 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.813 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' HE ' HH22 ' A' ' 14' ' ' ARG . 48.3 ttp180 -60.94 -36.97 80.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.065 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.574 HH22 ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -62.84 -36.81 84.46 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.783 178.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.68 -34.59 67.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.851 0.719 . . . . 0.0 109.666 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -62.87 -51.62 66.29 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 124.157 0.911 . . . . 0.0 110.447 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.1 mt -138.37 134.59 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -49.73 119.25 3.34 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.048 0.217 . . . . 0.0 110.655 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.53 -70.82 0.06 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -70.15 139.08 38.04 Favored 'Trans proline' 0 N--CA 1.508 2.34 0 C-N-CA 121.713 1.608 . . . . 0.0 110.725 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' NE2' ' N ' ' B' ' 26' ' ' GLN . 26.4 mt-30 -81.85 -80.39 0.16 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.793 0.683 . . . . 0.0 111.656 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -122.9 -48.16 2.02 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 124.824 1.328 . . . . 0.0 110.19 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.49 -74.63 0.36 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.785 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -132.43 -1.01 3.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.253 1.021 . . . . 0.0 109.136 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' N ' ' NE2' ' E' ' 22' ' ' GLN . 88.8 mt-30 -44.21 -49.05 9.35 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.016 -1.447 . . . . 0.0 111.158 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -59.45 -42.44 91.95 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.547 0.339 . . . . 0.0 111.759 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -61.58 -50.76 71.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 123.777 0.673 . . . . 0.0 110.123 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.66 89.78 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.196 0.31 . . . . 0.0 111.014 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -55.62 -46.45 77.37 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.87 -45.73 88.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.761 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -63.12 -50.19 71.45 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.051 0.844 . . . . 0.0 112.365 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 ' CD1' ' E' ' 37' ' ' LEU . 63.1 mt -64.55 -44.61 96.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 123.442 0.464 . . . . 0.0 110.28 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -58.86 -45.89 89.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 39' ' ' LEU . 39.7 t80 -59.83 -44.76 93.89 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.808 0.692 . . . . 0.0 110.382 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 1.6 t -65.89 -41.13 91.93 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' B' ' 33' ' ' ILE . 15.4 mt -65.27 -45.97 82.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.809 0.693 . . . . 0.0 109.234 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.6 mt -57.27 -41.33 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 112.905 -1.952 . . . . 0.0 107.588 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 35' ' ' PHE . 24.0 mt -62.84 -42.1 99.61 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 123.895 0.747 . . . . 0.0 109.801 176.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.592 HG23 HD11 ' E' ' 44' ' ' LEU . 32.9 mm -62.73 -43.97 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 60.8 m -55.24 -49.44 72.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.596 0.56 . . . . 0.0 109.713 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.56 -39.59 88.6 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.974 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.6 tp -74.35 -29.99 61.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.07 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.647 HD11 HG23 ' B' ' 40' ' ' ILE . 24.3 mt -63.29 -40.3 97.0 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.42 -44.92 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.682 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.03 -32.96 74.7 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.553 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG23 HD11 ' E' ' 48' ' ' ILE . 19.2 mt -62.04 -42.15 93.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 O-C-N 123.673 0.608 . . . . 0.0 109.557 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD11 HG23 ' B' ' 47' ' ' ILE . 25.6 mm -63.16 -41.98 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.882 0.739 . . . . 0.0 109.787 178.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.87 -46.09 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 123.79 0.681 . . . . 0.0 109.5 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.8 mmm -65.87 -39.92 91.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.852 0.72 . . . . 0.0 110.432 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.06 -42.41 99.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.795 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.64 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.3 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.54 -32.68 67.33 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.68 -42.01 95.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.564 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.18 -43.56 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.146 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -66.68 -38.83 87.6 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.69 -40.11 86.77 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.009 0.818 . . . . 0.0 109.495 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.443 HD13 ' C ' ' B' ' 7' ' ' LEU . 3.3 tm? -62.78 -43.26 99.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.928 0.767 . . . . 0.0 108.958 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.9 m -63.87 -46.0 86.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.242 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -63.24 -38.52 91.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.286 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -62.58 -42.79 99.77 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.981 0.801 . . . . 0.0 109.451 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.85 94.32 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.493 0.496 . . . . 0.0 110.158 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.93 -43.74 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.803 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.562 ' HE ' HH22 ' B' ' 14' ' ' ARG . 48.2 ttp180 -60.74 -36.95 80.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.073 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.562 HH22 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -62.77 -36.92 84.64 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.694 178.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.03 68.19 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.83 0.706 . . . . 0.0 109.517 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -63.05 -51.76 65.44 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.748 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 94.8 mt -138.13 134.5 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -49.34 119.39 3.31 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.104 0.252 . . . . 0.0 110.723 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 mmt -92.68 -71.13 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.11 138.07 38.96 Favored 'Trans proline' 0 N--CA 1.508 2.331 0 C-N-CA 121.844 1.696 . . . . 0.0 110.681 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' C' ' 26' ' ' GLN . 26.3 mt-30 -81.85 -79.23 0.18 Allowed 'General case' 0 N--CA 1.473 0.719 0 O-C-N 123.349 0.406 . . . . 0.0 112.023 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -122.85 -50.77 1.94 Allowed 'General case' 0 C--N 1.348 0.508 0 C-N-CA 124.35 1.06 . . . . 0.0 109.743 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.75 -71.34 0.39 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.72 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -134.35 -1.13 2.9 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.013 -0.994 . . . . 0.0 108.847 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.434 ' N ' ' NE2' ' A' ' 22' ' ' GLN . 88.4 mt-30 -44.48 -48.49 10.06 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.085 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -58.65 -43.0 89.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.475 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.5 mm? -61.9 -50.64 71.38 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 123.643 0.589 . . . . 0.0 110.073 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -40.26 91.09 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.481 0.488 . . . . 0.0 110.923 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -55.72 -46.42 77.75 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.02 -45.55 88.44 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.619 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -62.98 -50.2 71.71 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.42 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 ' CD1' ' A' ' 37' ' ' LEU . 61.1 mt -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 O-C-N 123.624 0.577 . . . . 0.0 110.131 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -59.54 -44.81 93.11 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' B' ' 39' ' ' LEU . 37.6 t80 -59.6 -43.99 93.53 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.877 0.736 . . . . 0.0 110.261 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -64.0 -52.99 56.96 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.514 0.509 . . . . 0.0 110.623 179.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' C' ' 33' ' ' ILE . 12.2 mt -56.62 -44.07 80.85 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.63 -41.37 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 125.42 1.7 . . . . 0.0 108.07 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' B' ' 35' ' ' PHE . 26.8 mt -63.16 -41.34 99.23 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 109.79 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 44' ' ' LEU . 37.9 mm -62.75 -45.1 99.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.124 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 70.2 m -55.58 -48.87 74.12 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.511 0.507 . . . . 0.0 109.675 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.6 -39.35 88.34 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.74 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 tp -74.23 -30.21 62.06 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.812 0.445 . . . . 0.0 111.956 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' C' ' 40' ' ' ILE . 16.1 mt -63.61 -39.71 95.07 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.7 -44.5 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.05 -32.71 74.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.73 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 48' ' ' ILE . 19.5 mt -62.23 -42.42 95.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.585 HD11 HG23 ' C' ' 47' ' ' ILE . 25.9 mm -63.0 -42.14 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.955 0.784 . . . . 0.0 109.927 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.87 -45.98 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.85 -40.0 91.31 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.784 0.678 . . . . 0.0 110.163 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.26 -42.48 99.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.588 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.658 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.142 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.1 -32.28 67.94 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -64.57 -42.29 95.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.683 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 88.3 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 124.402 1.063 . . . . 0.0 108.942 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -66.63 -39.06 88.11 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.47 -40.14 85.98 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 123.68 0.613 . . . . 0.0 109.666 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.451 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -62.68 -43.26 99.26 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.85 -45.91 87.37 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.517 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -63.22 -38.27 90.52 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.284 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -62.69 -42.62 99.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.925 0.765 . . . . 0.0 109.573 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.14 -42.78 93.52 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.623 0.577 . . . . 0.0 110.101 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.98 -43.85 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.584 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.3 ttp180 -60.49 -37.04 79.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.058 177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.584 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.4 OUTLIER -62.84 -36.79 84.37 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.782 178.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -34.73 68.45 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.904 0.753 . . . . 0.0 109.621 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -63.05 -51.67 65.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.629 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 94.4 mt -138.22 134.72 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -49.37 118.82 2.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 122.984 0.178 . . . . 0.0 110.697 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.16 -70.66 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.14 139.15 38.25 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 C-N-CA 121.827 1.684 . . . . 0.0 110.842 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.43 ' NE2' ' N ' ' D' ' 26' ' ' GLN . 28.6 mt-30 -82.67 -82.69 0.14 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.799 0.687 . . . . 0.0 111.761 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -119.17 -49.72 2.38 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.477 1.111 . . . . 0.0 109.575 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.31 -73.92 0.38 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 124.048 0.842 . . . . 0.0 109.702 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.408 ' H ' HE21 ' B' ' 22' ' ' GLN . 58.0 mtp85 -131.99 -0.38 3.78 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.562 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.418 ' N ' ' NE2' ' B' ' 22' ' ' GLN . 88.4 mt-30 -44.94 -48.8 11.34 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 124.363 1.065 . . . . 0.0 111.242 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -59.38 -42.5 91.79 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 119.463 -0.303 . . . . 0.0 111.636 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.463 HD22 ' N ' ' C' ' 28' ' ' LEU . 3.4 mm? -61.59 -50.97 70.47 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.882 0.739 . . . . 0.0 110.243 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -40.0 91.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.135 0.272 . . . . 0.0 111.145 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -55.7 -46.19 77.7 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.37 -45.41 87.84 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.633 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -63.3 -49.86 72.35 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.671 0.607 . . . . 0.0 112.456 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' B' ' 37' ' ' LEU . 65.5 mt -64.8 -44.58 96.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 123.279 0.362 . . . . 0.0 110.198 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -59.1 -45.52 90.67 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' C' ' 39' ' ' LEU . 38.6 t80 -59.15 -44.34 92.09 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.377 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 1.0 OUTLIER -63.75 -53.26 53.79 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.189 0.93 . . . . 0.0 110.324 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 33' ' ' ILE . 12.4 mt -55.5 -46.42 76.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.63 -42.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 125.396 1.685 . . . . 0.0 108.589 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' C' ' 35' ' ' PHE . 26.3 mt -63.6 -41.06 98.36 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.419 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' B' ' 44' ' ' LEU . 38.1 mm -62.21 -43.76 98.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 66.0 m -56.46 -48.14 77.7 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.45 -39.2 88.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.373 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.37 -30.92 62.18 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 123.118 0.567 . . . . 0.0 112.105 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.657 HD11 HG23 ' D' ' 40' ' ' ILE . 27.1 mt -62.88 -40.24 96.9 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.9 -44.63 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.804 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.4 m -64.09 -33.03 74.84 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.585 HG23 HD11 ' B' ' 48' ' ' ILE . 19.5 mt -61.88 -42.31 94.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.558 HD11 HG23 ' D' ' 47' ' ' ILE . 25.3 mm -63.21 -41.8 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 123.865 0.728 . . . . 0.0 109.757 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.9 -45.99 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 94.0 mmm -66.06 -39.65 90.26 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.878 0.736 . . . . 0.0 110.389 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.1 -42.62 99.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.712 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.617 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.345 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.43 -32.74 67.2 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.6 -42.18 95.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.65 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.27 -43.68 97.24 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 115.077 -0.965 . . . . 0.0 108.927 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.91 -38.77 86.85 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.58 -40.51 87.63 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.835 0.709 . . . . 0.0 109.667 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.458 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -62.23 -43.79 98.04 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -63.56 -45.79 88.9 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.36 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -62.66 -39.24 93.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.143 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.4 m -63.2 -41.6 99.18 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.929 0.768 . . . . 0.0 109.869 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.06 96.24 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.616 0.572 . . . . 0.0 109.898 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.95 -43.62 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.715 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH22 ' D' ' 14' ' ' ARG . 49.8 ttp180 -60.7 -37.32 81.25 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.09 177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.463 HH22 ' HE ' ' D' ' 13' ' ' ARG . 0.5 OUTLIER -62.72 -37.18 85.51 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.69 179.032 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.04 66.79 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.833 0.708 . . . . 0.0 109.594 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -62.52 -51.93 65.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.511 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 94.8 mt -138.58 133.55 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -48.79 121.26 4.47 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.201 0.313 . . . . 0.0 110.541 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 21.9 mmt -93.32 -70.43 0.06 OUTLIER Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -70.93 139.01 35.26 Favored 'Trans proline' 0 N--CA 1.51 2.443 0 C-N-CA 121.891 1.728 . . . . 0.0 110.794 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.547 HE22 ' ND2' ' D' ' 30' ' ' ASN . 9.1 mt-30 -79.78 -80.28 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.34 0.4 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -122.61 -51.42 1.94 Allowed 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.176 0.922 . . . . 0.0 109.862 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.7 -73.53 0.45 Allowed 'General case' 0 C--N 1.347 0.493 0 O-C-N 124.331 1.019 . . . . 0.0 109.194 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -133.3 -1.85 3.17 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 124.109 0.88 . . . . 0.0 108.897 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.43 ' N ' ' NE2' ' C' ' 22' ' ' GLN . 95.5 mt-30 -44.11 -49.34 8.97 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.087 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -58.68 -42.29 88.18 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.465 HD22 ' N ' ' D' ' 28' ' ' LEU . 3.6 mm? -61.63 -50.89 70.74 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 123.462 0.476 . . . . 0.0 110.128 -178.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -39.4 91.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 122.345 0.258 . . . . 0.0 110.699 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . 0.547 ' ND2' HE22 ' D' ' 22' ' ' GLN . 5.3 m-20 -56.93 -45.57 82.64 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 123.938 0.774 . . . . 0.0 109.077 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.32 -45.08 89.49 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.18 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -62.84 -50.2 71.88 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.767 0.667 . . . . 0.0 112.258 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.4 mt -64.23 -44.84 97.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 123.7 0.625 . . . . 0.0 110.25 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -59.52 -45.17 92.53 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' D' ' 39' ' ' LEU . 38.1 t80 -59.11 -44.45 91.99 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.959 0.787 . . . . 0.0 110.006 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.923 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -63.92 -53.22 53.83 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.895 0.747 . . . . 0.0 110.78 179.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.548 ' CD1' HG23 ' E' ' 33' ' ' ILE . 11.9 mt -56.44 -44.71 80.74 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.09 -42.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.152 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' D' ' 35' ' ' PHE . 28.4 mt -62.87 -41.96 99.59 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.657 HG23 HD11 ' C' ' 44' ' ' LEU . 36.2 mm -62.87 -43.47 98.91 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 65.1 m -55.89 -48.78 75.01 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.86 -39.17 87.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.954 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.9 -30.37 61.27 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.921 0.489 . . . . 0.0 112.011 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.611 HD11 HG23 ' E' ' 40' ' ' ILE . 20.0 mt -62.94 -40.23 97.0 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -65.97 -44.74 92.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.631 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.93 -32.57 74.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.724 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.558 HG23 HD11 ' C' ' 48' ' ' ILE . 19.4 mt -62.23 -42.24 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.59 HD11 HG23 ' E' ' 47' ' ' ILE . 26.0 mm -63.02 -42.17 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.835 0.71 . . . . 0.0 109.977 178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.9 -45.83 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 88.9 mmm -65.8 -40.18 91.64 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.787 0.68 . . . . 0.0 110.185 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -63.04 -42.54 99.77 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.766 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.164 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.74 -32.65 67.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.303 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.4 -42.16 96.25 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.413 1.071 . . . . 0.0 109.642 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.31 -43.69 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 124.149 0.906 . . . . 0.0 109.032 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -67.07 -38.74 86.31 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -59.48 -40.55 87.3 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 123.946 0.779 . . . . 0.0 109.689 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.442 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.3 tm? -62.28 -43.69 98.24 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -63.59 -45.62 89.54 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.349 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -63.04 -39.18 93.96 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.273 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -63.55 -41.18 98.45 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.998 0.812 . . . . 0.0 109.767 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.07 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.538 0.524 . . . . 0.0 109.807 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.13 -43.75 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 115.234 -0.893 . . . . 0.0 108.632 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.472 ' HE ' HH22 ' E' ' 14' ' ' ARG . 49.7 ttp180 -60.34 -37.3 80.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.169 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.472 HH22 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER -62.79 -37.0 84.95 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.627 178.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.78 67.99 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 123.592 0.558 . . . . 0.0 109.591 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -62.76 -51.65 66.31 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.671 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 94.4 mt -138.71 134.63 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -49.17 119.64 3.42 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.112 0.258 . . . . 0.0 110.793 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 22.4 mmt -92.87 -70.23 0.07 OUTLIER Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.43 138.55 35.93 Favored 'Trans proline' 0 N--CA 1.511 2.531 0 C-N-CA 121.894 1.73 . . . . 0.0 110.621 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.414 ' NE2' ' N ' ' A' ' 26' ' ' GLN . 27.1 mt-30 -81.42 -81.09 0.14 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.742 0.651 . . . . 0.0 111.744 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -119.83 -51.17 2.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.792 0.837 . . . . 0.0 109.989 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.42 -71.9 0.41 Allowed 'General case' 0 C--N 1.344 0.359 0 O-C-N 124.003 0.815 . . . . 0.0 109.611 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.491 ' HB2' HE21 ' D' ' 22' ' ' GLN . 57.6 mtp85 -134.1 -2.31 2.88 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -41.24 -49.0 3.62 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 124.456 1.102 . . . . 0.0 111.041 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -59.37 -42.9 92.69 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.693 0.621 . . . . 0.0 111.982 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.427 HD22 ' N ' ' E' ' 28' ' ' LEU . 4.0 mm? -60.84 -49.34 77.89 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.598 0.561 . . . . 0.0 109.988 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.51 -40.65 89.31 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 122.334 0.253 . . . . 0.0 111.191 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.54 -46.74 73.64 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.95 -45.7 88.0 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.615 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -62.93 -50.37 71.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.548 HG23 ' CD1' ' D' ' 37' ' ' LEU . 65.7 mt -64.31 -44.74 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 123.475 0.485 . . . . 0.0 110.323 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -59.53 -45.1 92.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.9 t80 -59.55 -44.01 93.37 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.945 0.778 . . . . 0.0 110.366 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.905 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -64.15 -52.86 57.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.588 0.555 . . . . 0.0 110.519 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.541 ' CD1' HG23 ' A' ' 33' ' ' ILE . 11.9 mt -56.25 -45.79 79.9 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.279 0.561 . . . . 0.0 109.927 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.85 -42.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.146 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' E' ' 35' ' ' PHE . 27.1 mt -63.91 -41.59 97.64 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 119.11 -0.471 . . . . 0.0 109.979 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.611 HG23 HD11 ' D' ' 44' ' ' LEU . 33.6 mm -62.03 -45.19 99.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.58 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.915 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 63.7 m -54.45 -49.02 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.128 0.893 . . . . 0.0 109.774 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.68 -39.3 88.06 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.986 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 tp -74.93 -30.08 61.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 122.861 0.464 . . . . 0.0 111.846 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 40' ' ' ILE . 20.1 mt -63.35 -40.11 96.37 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.74 -44.64 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.651 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 95.3 m -63.94 -32.77 74.42 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.716 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.59 HG23 HD11 ' D' ' 48' ' ' ILE . 19.2 mt -61.86 -42.1 93.28 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.578 HD11 HG23 ' A' ' 47' ' ' ILE . 25.2 mm -63.21 -41.88 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 123.789 0.681 . . . . 0.0 109.854 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.87 -46.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 123.731 0.644 . . . . 0.0 109.302 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 94.4 mmm -66.05 -39.77 90.39 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.46 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.3 -42.16 99.03 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.828 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.543 0.687 0 O-C-N 124.216 0.947 . . . . 0.0 110.176 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -53.76 -39.38 65.3 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.977 0.511 . . . . 0.0 110.422 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -62.15 -41.35 98.19 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.44 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -60.97 -43.42 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.4 1.063 . . . . 0.0 109.44 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -55.16 -49.4 71.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.062 0.851 . . . . 0.0 109.415 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.89 -40.91 95.84 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.051 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.7 tm? -60.2 -42.65 95.54 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.724 0.64 . . . . 0.0 110.14 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -62.06 -45.77 92.08 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.12 -44.7 96.07 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.981 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 m -64.55 -40.12 95.01 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.861 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.25 94.57 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.862 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.21 -43.08 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.951 0.782 . . . . 0.0 109.048 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 HH21 ' NH2' ' A' ' 14' ' ' ARG . 52.2 ttp180 -60.56 -22.14 63.34 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.628 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -97.69 -39.51 9.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.846 0.716 . . . . 0.0 110.241 179.217 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 103.36 0.67 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.979 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.85 -46.81 83.36 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.478 HD13 ' H ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -71.85 -23.88 22.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.119 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.76 150.35 47.57 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.3 mtp -29.16 129.88 0.22 Allowed Pre-proline 0 N--CA 1.484 1.259 0 C-N-CA 125.278 1.431 . . . . 0.0 114.753 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.418 ' C ' HD21 ' E' ' 27' ' ' ASN . 35.5 Cg_exo -60.13 -12.49 19.66 Favored 'Trans proline' 0 N--CA 1.514 2.727 0 C-N-CA 122.921 2.414 . . . . 0.0 111.804 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -56.69 -24.4 48.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.579 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.83 80.97 7.7 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -64.21 162.35 14.74 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.635 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -61.68 -31.31 71.43 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.071 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.437 HD21 ' C ' ' B' ' 21' ' ' PRO . 5.3 t30 -74.22 -54.16 8.3 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.24 -31.24 61.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.144 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -33.43 75.8 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.688 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -53.49 -50.26 65.76 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.606 0.567 . . . . 0.0 109.534 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.25 -43.73 98.15 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.854 1.346 . . . . 0.0 110.905 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.29 -52.59 63.1 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.006 0.816 . . . . 0.0 111.545 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' E' ' 37' ' ' LEU . 67.4 mt -67.89 -44.38 85.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 124.107 0.88 . . . . 0.0 111.087 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.69 -42.92 98.13 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 32.5 t80 -58.45 -43.98 89.01 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -64.14 -50.56 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.136 0.272 . . . . 0.0 110.315 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.0 mt -58.06 -46.29 85.64 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.525 0.678 . . . . 0.0 110.498 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.13 -42.44 90.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.331 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 29.5 mt -62.47 -43.88 97.75 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 175.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' E' ' 41' ' ' CYS . 17.0 mm -64.6 -42.85 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 78.0 m -58.95 -47.49 84.9 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 123.925 0.765 . . . . 0.0 109.534 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.4 -40.12 96.34 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.621 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD11 HD13 ' E' ' 48' ' ' ILE . 9.7 tp -65.2 -50.56 65.42 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.428 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 47' ' ' ILE . 3.0 mp -51.94 -41.04 61.73 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 119.059 0.845 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' VAL . 76.8 mt -62.65 -43.75 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.89 -39.7 93.94 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.433 0.458 . . . . 0.0 110.261 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 44' ' ' LEU . 68.2 mt -62.27 -44.37 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.605 HD13 HD11 ' B' ' 43' ' ' LEU . 45.3 mt -65.43 -42.18 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.276 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 45' ' ' ILE . 40.1 t -59.98 -46.45 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.67 0.606 . . . . 0.0 109.598 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.63 -50.25 67.87 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.2 -39.53 56.71 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 124.166 0.916 . . . . 0.0 110.435 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.543 0.681 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.601 178.621 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -38.94 64.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.931 0.492 . . . . 0.0 110.481 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -62.58 -41.08 98.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.326 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.31 -43.16 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -55.16 -49.35 72.07 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.257 0.973 . . . . 0.0 109.472 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.63 -41.07 93.09 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.204 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.47 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.8 tm? -60.49 -42.1 95.64 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.694 0.621 . . . . 0.0 110.185 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.8 m -62.3 -46.03 90.59 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.805 0.691 . . . . 0.0 109.348 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -62.07 -44.83 95.82 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.895 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -64.3 -39.96 94.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.951 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.06 95.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.014 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.37 -43.21 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.945 0.778 . . . . 0.0 109.085 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' B' ' 14' ' ' ARG . 52.3 ttp180 -60.4 -22.17 63.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.657 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' B' ' 13' ' ' ARG . 0.2 OUTLIER -97.56 -39.59 9.05 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 0.0 110.265 179.142 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 103.49 0.71 Allowed 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.021 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.99 -46.92 82.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.457 HD13 ' H ' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -71.72 -23.96 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.082 179.192 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.73 150.45 47.3 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.454 0.471 . . . . 0.0 110.195 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtp -28.77 129.32 0.22 Allowed Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.365 1.466 . . . . 0.0 114.873 -177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.437 ' C ' HD21 ' A' ' 27' ' ' ASN . 35.2 Cg_exo -59.95 -12.56 19.26 Favored 'Trans proline' 0 N--CA 1.516 2.796 0 C-N-CA 122.984 2.456 . . . . 0.0 111.698 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -56.82 -24.67 52.59 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.364 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.56 -42.36 87.72 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.88 81.14 7.62 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -64.14 163.02 13.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.738 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.42 -30.68 71.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.436 HD21 ' C ' ' C' ' 21' ' ' PRO . 5.8 t30 -75.15 -54.11 7.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -55.45 -30.16 60.02 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.298 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.99 77.11 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.194 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -53.79 -50.33 66.31 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp -61.97 -43.87 97.92 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.62 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -62.68 -52.2 64.25 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.829 0.705 . . . . 0.0 111.563 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 37' ' ' LEU . 64.0 mt -67.63 -45.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 123.536 0.523 . . . . 0.0 111.042 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.5 -43.14 97.34 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' B' ' 39' ' ' LEU . 34.2 t80 -58.75 -43.71 90.34 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.17 -50.33 68.56 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 123.844 0.715 . . . . 0.0 110.475 178.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.593 ' CD1' HG23 ' C' ' 33' ' ' ILE . 13.8 mt -59.23 -46.5 88.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.31 -44.1 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.408 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' B' ' 35' ' ' PHE . 24.0 mt -63.23 -42.87 99.29 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.677 0.611 . . . . 0.0 109.714 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 44' ' ' LEU . 21.1 mm -63.0 -44.5 99.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.3 m -58.4 -47.92 82.33 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.94 -39.12 93.66 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.368 1.042 . . . . 0.0 109.744 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.605 HD11 HD13 ' A' ' 48' ' ' ILE . 14.2 tp -73.27 -28.14 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.915 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.95 -41.49 86.83 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.451 ' O ' HG23 ' B' ' 49' ' ' VAL . 77.6 mt -62.89 -42.9 98.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.899 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.8 m -63.17 -41.71 99.26 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.46 -43.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.6 HD13 HD11 ' C' ' 43' ' ' LEU . 46.7 mt -64.75 -43.06 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 124.308 1.005 . . . . 0.0 110.838 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 45' ' ' ILE . 41.6 t -61.59 -45.07 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -72.85 -26.83 61.61 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.858 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.35 -40.26 74.19 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.169 179.784 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -53.56 -39.03 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.247 0.546 . . . . 0.0 110.471 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.44 -41.33 98.65 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.528 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.94 -43.7 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 123.838 0.711 . . . . 0.0 109.211 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -54.37 -49.34 70.05 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.255 0.972 . . . . 0.0 109.403 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -66.16 -41.11 90.82 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.474 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.8 tm? -60.19 -42.36 94.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.58 0.55 . . . . 0.0 110.212 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -62.1 -45.9 91.43 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.998 0.811 . . . . 0.0 109.292 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -62.28 -44.34 96.75 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.892 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -64.39 -39.95 94.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.845 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.9 95.53 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.859 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.37 -43.29 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 124.092 0.87 . . . . 0.0 108.831 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.425 HH21 ' NH2' ' C' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -22.05 63.28 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.643 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.425 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.2 OUTLIER -97.75 -39.42 9.06 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.899 0.749 . . . . 0.0 110.224 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.92 103.63 0.75 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.921 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 19.8 m -63.95 -46.82 82.99 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.469 ' H ' HD13 ' C' ' 18' ' ' ILE . 0.2 OUTLIER -71.76 -23.76 22.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.055 179.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.07 150.59 47.84 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.214 0.321 . . . . 0.0 110.247 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 75.7 mtp -28.75 129.28 0.22 Allowed Pre-proline 0 N--CA 1.483 1.19 0 O-C-N 125.143 1.527 . . . . 0.0 114.673 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.436 ' C ' HD21 ' B' ' 27' ' ' ASN . 34.0 Cg_exo -60.06 -12.35 18.88 Favored 'Trans proline' 0 N--CA 1.515 2.771 0 C-N-CA 122.907 2.405 . . . . 0.0 111.789 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -57.01 -24.07 50.9 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.716 0.807 . . . . 0.0 110.43 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -59.02 -42.78 90.99 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 80.65 7.96 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -63.76 163.07 12.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.922 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.41 -31.0 71.62 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.917 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.445 HD21 ' C ' ' D' ' 21' ' ' PRO . 5.6 t30 -75.0 -53.44 8.92 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.02 -30.49 61.93 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.252 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -33.45 75.9 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.18 177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -54.06 -50.53 66.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.83 -43.79 98.14 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.844 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -62.53 -52.56 62.96 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 111.63 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' B' ' 37' ' ' LEU . 63.9 mt -67.69 -44.82 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.209 -0.424 . . . . 0.0 110.877 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.62 -42.73 97.45 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.317 0.386 . . . . 0.0 110.03 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 33.1 t80 -58.33 -43.71 88.37 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.751 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -64.15 -51.7 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 123.762 0.663 . . . . 0.0 110.042 179.007 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' D' ' 33' ' ' ILE . 13.4 mt -57.35 -45.71 84.08 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.398 0.618 . . . . 0.0 110.171 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.69 -42.9 93.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 114.691 -1.14 . . . . 0.0 108.971 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 27.4 mt -63.52 -43.29 97.58 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.71 -44.49 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.9 0.75 . . . . 0.0 109.278 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 76.1 m -59.07 -46.53 88.02 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 123.715 0.634 . . . . 0.0 110.029 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -38.58 91.58 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.762 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.6 HD11 HD13 ' B' ' 48' ' ' ILE . 14.0 tp -73.49 -28.95 62.2 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.868 0.73 . . . . 0.0 112.172 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.23 -41.73 89.65 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.463 ' O ' HG23 ' C' ' 49' ' ' VAL . 77.9 mt -62.32 -43.13 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.661 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -63.4 -41.54 98.76 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.676 0.61 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.45 -43.94 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.59 HD13 HD11 ' D' ' 43' ' ' LEU . 47.4 mt -65.17 -42.88 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 124.144 0.902 . . . . 0.0 110.947 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 45' ' ' ILE . 41.0 t -61.67 -45.07 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -72.57 -27.91 62.49 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.73 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -69.45 -40.39 77.22 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.542 0.648 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.21 179.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -53.17 -39.2 63.43 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.978 0.511 . . . . 0.0 110.559 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.37 -41.44 98.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.68 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.04 -44.18 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 124.131 0.894 . . . . 0.0 109.397 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -53.78 -49.31 68.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.164 0.915 . . . . 0.0 109.45 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -65.87 -40.82 92.01 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.062 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.7 tm? -60.26 -42.42 95.32 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.55 0.531 . . . . 0.0 110.175 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.87 -45.99 91.36 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -62.11 -44.7 96.06 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.822 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -64.43 -40.2 95.29 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.758 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.07 95.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.731 0.644 . . . . 0.0 109.948 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.45 -43.23 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.167 0.917 . . . . 0.0 108.86 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.422 HH21 ' NH2' ' D' ' 14' ' ' ARG . 52.3 ttp180 -60.34 -22.14 62.91 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.674 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.422 ' NH2' HH21 ' D' ' 13' ' ' ARG . 0.2 OUTLIER -97.72 -39.3 9.13 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.89 0.744 . . . . 0.0 110.323 179.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 103.54 0.73 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.948 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -63.97 -46.92 82.48 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.457 HD13 ' H ' ' D' ' 18' ' ' ILE . 0.2 OUTLIER -71.51 -23.98 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.082 179.105 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.81 150.23 47.94 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.361 0.413 . . . . 0.0 109.904 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 76.0 mtp -28.73 129.4 0.22 Allowed Pre-proline 0 N--CA 1.482 1.157 0 C-N-CA 125.326 1.451 . . . . 0.0 114.875 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.445 ' C ' HD21 ' C' ' 27' ' ' ASN . 34.3 Cg_exo -59.83 -12.73 19.41 Favored 'Trans proline' 0 N--CA 1.515 2.791 0 C-N-CA 122.82 2.347 . . . . 0.0 111.745 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -56.73 -24.21 47.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.663 0.785 . . . . 0.0 110.327 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.96 -42.49 90.04 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.2 80.47 8.27 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -64.64 161.42 17.73 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.885 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -60.56 -31.59 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.503 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.434 HD21 ' C ' ' E' ' 21' ' ' PRO . 5.1 t30 -74.64 -52.96 10.27 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.65 -30.89 63.83 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.223 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.461 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -54.17 -50.69 66.44 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.96 -43.75 98.19 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 124.798 1.311 . . . . 0.0 110.887 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.79 -52.55 62.76 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 123.937 0.773 . . . . 0.0 111.653 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' C' ' 37' ' ' LEU . 64.9 mt -67.54 -45.01 86.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.954 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -60.7 -42.93 98.16 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 34.3 t80 -58.22 -43.76 87.86 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.159 0.912 . . . . 0.0 109.382 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.838 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -63.74 -52.08 62.05 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.227 0.329 . . . . 0.0 110.15 178.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.564 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.8 mt -58.7 -45.04 90.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.8 -44.16 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 CA-C-N 113.515 -1.675 . . . . 0.0 108.49 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.3 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 123.887 0.742 . . . . 0.0 110.361 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -63.68 -43.99 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.2 m -57.86 -46.77 84.33 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 123.92 0.762 . . . . 0.0 109.943 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.37 -38.11 89.86 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 124.399 1.062 . . . . 0.0 109.458 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.59 HD11 HD13 ' C' ' 48' ' ' ILE . 14.2 tp -74.62 -29.11 61.16 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.003 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' E' ' 40' ' ' ILE . 3.2 mp -65.95 -41.4 91.31 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.46 ' O ' HG23 ' D' ' 49' ' ' VAL . 75.3 mt -62.38 -43.24 97.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 108.792 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.65 -41.59 98.2 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.749 0.656 . . . . 0.0 109.656 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.37 -43.86 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.598 HD13 HD11 ' E' ' 43' ' ' LEU . 47.5 mt -65.13 -43.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.823 0.849 . . . . 0.0 110.835 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 45' ' ' ILE . 40.7 t -61.5 -45.18 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 97.2 mmm -72.03 -29.0 63.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 tp -68.66 -40.38 80.22 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.213 -0.816 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.172 179.709 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -53.56 -39.0 64.42 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.854 0.461 . . . . 0.0 110.587 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.6 -41.0 98.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.501 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.18 -43.15 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 124.019 0.824 . . . . 0.0 109.332 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -55.24 -49.29 72.4 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.187 0.93 . . . . 0.0 109.314 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -65.65 -41.24 92.82 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.101 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.499 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.9 tm? -60.36 -42.42 95.71 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.638 0.586 . . . . 0.0 110.124 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -62.27 -45.89 91.24 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -62.23 -44.6 96.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.843 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 57.4 m -64.39 -40.08 95.11 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.688 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.98 95.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.877 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.35 -43.18 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.98 0.8 . . . . 0.0 108.915 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.42 HH21 ' NH2' ' E' ' 14' ' ' ARG . 52.3 ttp180 -60.58 -21.92 63.16 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.655 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.42 ' NH2' HH21 ' E' ' 13' ' ' ARG . 0.2 OUTLIER -97.82 -39.41 9.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.837 0.711 . . . . 0.0 110.211 179.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 103.48 0.75 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.043 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -63.85 -47.04 82.34 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.471 HD13 ' H ' ' E' ' 18' ' ' ILE . 0.2 OUTLIER -71.47 -23.87 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.194 179.064 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.97 150.35 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.324 0.39 . . . . 0.0 110.097 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 76.0 mtp -28.71 129.73 0.22 Allowed Pre-proline 0 N--CA 1.481 1.111 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.434 ' C ' HD21 ' D' ' 27' ' ' ASN . 36.3 Cg_exo -60.42 -11.97 18.72 Favored 'Trans proline' 0 N--CA 1.516 2.832 0 C-N-CA 122.805 2.336 . . . . 0.0 111.911 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -57.44 -24.27 54.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.741 0.816 . . . . 0.0 110.403 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.72 -42.41 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.49 80.24 8.13 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -63.79 161.83 14.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.821 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.33 -31.8 71.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.418 HD21 ' C ' ' A' ' 21' ' ' PRO . 4.8 t30 -73.89 -52.71 12.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -30.71 63.95 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.265 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.82 73.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.392 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -54.1 -50.61 66.46 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp -61.61 -43.93 97.95 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 124.679 1.237 . . . . 0.0 110.653 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.32 -52.41 63.77 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.202 0.939 . . . . 0.0 111.819 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.564 HG23 ' CD1' ' D' ' 37' ' ' LEU . 66.2 mt -67.95 -44.51 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.03 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -60.29 -43.07 96.59 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.579 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 34.2 t80 -60.04 -43.6 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 124.157 0.91 . . . . 0.0 109.124 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -62.04 -53.89 49.16 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.777 0.673 . . . . 0.0 109.831 178.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 33' ' ' ILE . 7.5 mt -52.45 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.372 1.574 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 177.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 75.7 mt -31.19 -47.06 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 O-C-N 124.617 1.198 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.579 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 28.4 mt -62.84 -45.86 90.63 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 117.478 0.126 . . . . 0.0 111.192 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' E' ' 37' ' ' LEU . 11.1 mm -61.98 -44.05 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.885 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 60.3 m -58.17 -46.64 85.39 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.833 0.708 . . . . 0.0 109.92 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.01 -37.43 87.38 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.755 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.598 HD11 HD13 ' D' ' 48' ' ' ILE . 14.2 tp -73.89 -29.07 61.87 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.102 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 40' ' ' ILE . 3.2 mp -66.01 -41.29 91.21 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.457 ' O ' HG23 ' E' ' 49' ' ' VAL . 79.9 mt -62.72 -42.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.731 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.7 m -63.59 -41.37 98.35 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.497 0.498 . . . . 0.0 109.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt -62.35 -43.95 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.586 HD13 HD11 ' A' ' 43' ' ' LEU . 47.4 mt -65.44 -42.88 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 124.154 0.909 . . . . 0.0 111.049 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.457 HG23 ' O ' ' E' ' 45' ' ' ILE . 41.2 t -61.33 -45.19 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 97.6 mmm -72.26 -28.43 63.12 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.695 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 tp -69.23 -40.8 77.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 CA--C 1.543 0.697 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.264 179.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mtt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.86 -36.89 77.83 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.65 -40.98 96.4 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.626 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.89 -44.64 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.65 -42.12 99.43 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.012 0.82 . . . . 0.0 109.093 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.42 -39.99 95.09 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.119 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.74 -42.62 99.21 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.895 0.747 . . . . 0.0 109.074 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.57 -46.46 88.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -62.83 -41.27 99.25 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.034 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -65.18 -38.24 89.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.157 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.86 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.535 0.522 . . . . 0.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.8 mt -65.17 -43.11 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.0 ttp180 -60.49 -41.58 94.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.611 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.421 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -64.7 -46.8 80.81 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.648 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.9 61.45 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.927 0.767 . . . . 0.0 110.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -66.43 -36.26 82.35 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.041 0.213 . . . . 0.0 110.456 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.96 -177.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 123.937 0.773 . . . . 0.0 109.19 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' H ' ' NE2' ' A' ' 22' ' ' GLN . 16.4 pt-20 40.22 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.545 1.138 . . . . 0.0 113.2 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.425 ' H ' ' HD2' ' A' ' 21' ' ' PRO . 8.5 mmt -134.24 -65.89 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HD2' ' H ' ' A' ' 20' ' ' MET . 55.2 Cg_endo -69.39 -23.38 32.54 Favored 'Trans proline' 0 N--CA 1.506 2.261 0 C-N-CA 121.743 1.629 . . . . 0.0 109.955 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' NE2' ' H ' ' A' ' 19' ' ' GLU . 53.3 mt-30 -74.02 -12.46 60.63 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.66 83.47 0.62 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' B' ' 28' ' ' LEU . . . -76.55 178.12 6.91 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.212 -1.358 . . . . 0.0 113.406 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.446 HH22 ' HE ' ' E' ' 25' ' ' ARG . 39.1 tpt85 -69.75 115.0 8.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 64.07 44.62 4.5 Favored 'General case' 0 C--O 1.243 0.733 0 O-C-N 125.68 1.863 . . . . 0.0 107.881 -175.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.562 HD22 ' H ' ' A' ' 24' ' ' ALA . 14.1 t-20 -45.15 -32.11 1.7 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.103 0.961 . . . . 0.0 111.913 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.681 ' HB3' ' HB1' ' E' ' 24' ' ' ALA . 3.3 mm? -63.15 -54.66 34.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.034 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -67.02 -38.88 86.72 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 123.69 0.619 . . . . 0.0 110.603 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.83 -46.15 90.15 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 123.856 0.723 . . . . 0.0 109.134 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.63 -42.71 97.45 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.417 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -71.94 -59.43 2.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 HD11 ' E' ' 37' ' ' LEU . 71.8 mt -64.59 -45.57 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.106 -176.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 HD21 ' N ' ' B' ' 33' ' ' ILE . 30.5 m120 -61.79 -41.42 97.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.888 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 43.9 t80 -57.92 -44.75 87.03 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.347 0.405 . . . . 0.0 110.004 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.29 -51.75 58.68 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 178.376 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD11 HG23 ' B' ' 33' ' ' ILE . 22.1 mt -56.41 -46.43 80.18 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -57.38 -44.11 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 125.487 1.742 . . . . 0.0 109.117 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 27.8 mt -61.2 -42.57 98.82 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' E' ' 41' ' ' CYS . 3.3 mm -64.65 -42.9 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 124.151 0.907 . . . . 0.0 109.102 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 83.8 m -56.82 -50.35 72.64 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.955 0.784 . . . . 0.0 109.275 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 45' ' ' ILE . 60.5 mt -62.86 -41.0 99.2 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 124.363 1.039 . . . . 0.0 110.606 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 43' ' ' LEU . 14.3 tp -72.79 -24.09 60.88 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.282 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 40' ' ' ILE . 1.8 mt -75.74 -35.76 60.11 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 42' ' ' LEU . 54.9 mt -61.91 -41.68 91.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.51 -42.42 96.37 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.541 HG13 HD11 ' E' ' 48' ' ' ILE . 81.2 mt -64.7 -43.28 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.518 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.538 HD11 HG13 ' B' ' 47' ' ' ILE . 2.6 mm -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.406 1.066 . . . . 0.0 111.291 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 45' ' ' ILE . 41.8 t -63.47 -45.32 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.72 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.47 -49.46 71.33 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.747 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' B' ' 50' ' ' MET . 9.4 tt -54.71 -43.79 72.9 Favored 'General case' 0 C--O 1.251 1.164 0 C-N-CA 123.84 0.856 . . . . 0.0 109.314 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.368 1.392 0 C-N-CA 123.817 0.847 . . . . 0.0 110.791 178.209 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.15 -37.55 72.24 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.59 -41.35 96.3 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.988 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.45 -44.37 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -62.09 -42.51 99.28 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.88 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.987 0.805 . . . . 0.0 109.238 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.418 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.061 0.851 . . . . 0.0 108.938 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -62.45 -45.99 90.55 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.31 -41.71 98.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.983 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -64.63 -38.54 91.35 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.299 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.87 94.81 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.4 -42.9 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.43 -41.62 94.38 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.619 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -64.53 -46.78 81.38 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.638 178.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -25.76 61.3 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 124.068 0.855 . . . . 0.0 110.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.1 p -66.68 -35.92 81.3 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.157 0.285 . . . . 0.0 110.448 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -98.1 -177.93 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 124.024 0.827 . . . . 0.0 109.32 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.409 ' H ' ' NE2' ' B' ' 22' ' ' GLN . 16.5 pt-20 40.43 28.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.539 1.136 . . . . 0.0 113.163 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.422 ' H ' ' HD2' ' B' ' 21' ' ' PRO . 8.6 mmt -133.71 -66.09 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' H ' ' B' ' 20' ' ' MET . 55.9 Cg_endo -69.4 -23.35 32.55 Favored 'Trans proline' 0 N--CA 1.507 2.271 0 C-N-CA 121.796 1.664 . . . . 0.0 109.976 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.409 ' NE2' ' H ' ' B' ' 19' ' ' GLU . 51.9 mt-30 -74.27 -10.72 59.88 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.265 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -73.09 79.69 1.23 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' C' ' 28' ' ' LEU . . . -74.63 175.76 7.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.926 -177.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.511 ' HE ' HH22 ' C' ' 25' ' ' ARG . 42.4 tpt85 -70.92 118.72 14.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.015 0.822 . . . . 0.0 108.873 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 69.27 39.13 1.73 Allowed 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.376 2.298 . . . . 0.0 107.897 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.438 HD22 ' H ' ' B' ' 24' ' ' ALA . 8.1 t-20 -42.48 -36.35 1.3 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 3.2 mm? -64.66 -56.92 10.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.665 0.603 . . . . 0.0 110.351 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.39 -38.28 90.47 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.647 0.592 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -60.76 -45.87 92.65 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.7 tp -61.0 -43.33 99.03 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.276 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -72.95 -58.95 2.95 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.57 HG23 HD11 ' A' ' 37' ' ' LEU . 68.5 mt -64.57 -45.71 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.88 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.426 HD21 ' N ' ' C' ' 33' ' ' ILE . 30.8 m120 -61.61 -40.94 96.62 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.613 0.642 . . . . 0.0 109.901 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 48.4 t80 -58.84 -45.28 90.42 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 123.566 0.541 . . . . 0.0 109.588 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -63.26 -53.93 45.27 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 123.565 0.541 . . . . 0.0 109.89 178.256 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.58 HD11 HG23 ' C' ' 33' ' ' ILE . 16.4 mt -49.78 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.368 1.398 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.5 mt -33.54 -45.4 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 O-C-N 124.93 1.394 . . . . 0.0 111.241 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 27.1 mt -61.78 -45.3 94.46 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.561 HG23 HD13 ' A' ' 44' ' ' LEU . 2.2 mm -62.31 -42.31 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 38.4 m -57.21 -49.11 77.03 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.159 0.912 . . . . 0.0 109.319 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' B' ' 45' ' ' ILE . 52.9 mt -63.23 -41.14 99.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.357 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.4 tp -71.85 -25.0 61.79 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 123.563 0.539 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.467 ' HB3' HD23 ' C' ' 43' ' ' LEU . 1.9 mt -74.57 -36.94 63.08 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' B' ' 42' ' ' LEU . 56.8 mt -62.34 -40.94 89.76 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.59 -41.86 98.03 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.538 HG13 HD11 ' A' ' 48' ' ' ILE . 71.6 mt -64.0 -43.14 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.496 HD11 HG13 ' C' ' 47' ' ' ILE . 2.1 mm -62.45 -45.35 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.708 0.803 . . . . 0.0 110.237 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.54 -45.32 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.69 0.619 . . . . 0.0 109.467 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.446 ' HB3' HD21 ' A' ' 51' ' ' LEU . 87.9 mmm -68.3 -27.16 66.06 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.983 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' C' ' 50' ' ' MET . 9.1 tt -74.19 -42.65 59.49 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 CA--C 1.545 0.77 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.745 179.099 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -58.51 -37.38 75.49 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.6 -41.59 96.13 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.813 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.15 -44.36 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.755 0.66 . . . . 0.0 109.248 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -62.64 -42.21 99.47 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.971 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.76 -39.14 93.25 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.937 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.444 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.6 OUTLIER -62.55 -41.73 99.08 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.875 0.734 . . . . 0.0 109.098 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -62.57 -46.71 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -63.47 -40.55 97.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.059 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -63.89 -40.61 96.92 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.86 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.64 91.4 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.722 0.639 . . . . 0.0 110.125 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.83 -43.13 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.534 ' HE ' HH22 ' C' ' 14' ' ' ARG . 48.7 ttp180 -60.78 -41.05 94.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.545 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.534 HH22 ' HE ' ' C' ' 13' ' ' ARG . 0.6 OUTLIER -64.52 -46.74 81.61 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.99 -25.91 61.68 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.886 0.741 . . . . 0.0 110.578 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 52.3 p -66.49 -36.1 81.91 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.291 0.37 . . . . 0.0 110.379 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.95 -177.73 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 123.819 0.699 . . . . 0.0 109.2 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.424 ' H ' ' NE2' ' C' ' 22' ' ' GLN . 16.5 pt-20 40.33 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.46 1.104 . . . . 0.0 113.287 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.411 ' H ' ' HD2' ' C' ' 21' ' ' PRO . 8.6 mmt -133.64 -66.28 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.411 ' HD2' ' H ' ' C' ' 20' ' ' MET . 55.3 Cg_endo -68.99 -23.45 34.31 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 121.938 1.759 . . . . 0.0 109.86 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.424 ' NE2' ' H ' ' C' ' 19' ' ' GLU . 53.9 mt-30 -74.07 -12.49 60.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.441 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.88 82.92 0.65 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' D' ' 28' ' ' LEU . . . -75.44 176.45 7.51 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.615 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.511 HH22 ' HE ' ' B' ' 25' ' ' ARG . 21.0 tpt85 -69.64 114.46 7.87 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 66.33 44.94 2.33 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.894 1.371 . . . . 0.0 108.322 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.505 HD22 ' H ' ' C' ' 24' ' ' ALA . 14.4 t-20 -45.03 -33.31 2.02 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.392 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.553 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 2.9 mm? -63.26 -58.58 6.69 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 123.84 0.712 . . . . 0.0 109.953 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.56 -38.8 92.51 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 122.63 0.372 . . . . 0.0 110.538 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.08 -45.04 96.36 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 123.911 0.757 . . . . 0.0 109.305 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.39 -45.02 95.04 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.59 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.93 -57.26 4.75 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.58 HG23 HD11 ' B' ' 37' ' ' LEU . 71.7 mt -65.29 -45.13 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 118.616 -0.706 . . . . 0.0 111.643 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.455 HD21 ' N ' ' D' ' 33' ' ' ILE . 28.6 m120 -61.66 -41.28 97.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.888 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 49.9 t80 -58.08 -44.86 87.81 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 123.708 0.63 . . . . 0.0 109.564 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.921 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.16 -58.74 6.21 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 16.6 mt -45.61 -71.82 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -35.62 -45.1 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.909 1.381 . . . . 0.0 111.098 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 29.8 mt -63.55 -45.51 90.23 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.561 HG22 HD12 ' C' ' 44' ' ' LEU . 3.3 mm -60.01 -42.81 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 29.8 m -59.1 -48.94 79.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.904 0.752 . . . . 0.0 109.695 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' C' ' 45' ' ' ILE . 53.7 mt -62.91 -39.84 95.74 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.467 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.6 tp -73.92 -27.05 60.83 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.078 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' D' ' 40' ' ' ILE . 2.7 mt -72.71 -36.13 67.76 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 42' ' ' LEU . 55.9 mt -62.92 -41.26 92.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.81 -40.61 95.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.496 HG13 HD11 ' B' ' 48' ' ' ILE . 73.7 mt -64.11 -43.02 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.443 HD11 HG13 ' D' ' 47' ' ' ILE . 2.9 mm -62.58 -45.14 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 123.941 0.775 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.91 -45.53 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.425 ' HB3' HD21 ' B' ' 51' ' ' LEU . 87.5 mmm -68.06 -29.58 68.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.031 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.29 -41.8 69.52 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.624 178.789 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -58.65 -38.22 77.65 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.72 -41.21 96.14 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.818 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.57 -45.05 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 124.076 0.86 . . . . 0.0 109.392 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -63.35 -41.33 98.85 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.257 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.29 -39.85 94.32 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.431 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.5 OUTLIER -62.26 -42.35 99.25 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.7 m -62.48 -45.98 90.54 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.707 0.629 . . . . 0.0 109.31 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -63.55 -41.22 98.45 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.929 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -65.06 -38.26 90.23 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.223 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -43.03 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.427 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.43 -41.7 94.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.625 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.427 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.4 OUTLIER -64.5 -46.79 81.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.662 178.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -26.01 61.72 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.925 0.766 . . . . 0.0 110.527 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -66.32 -36.22 82.37 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.209 0.318 . . . . 0.0 110.475 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.77 -177.42 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 124.049 0.843 . . . . 0.0 109.157 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . 0.447 ' H ' ' NE2' ' D' ' 22' ' ' GLN . 16.4 pt-20 40.04 28.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.6 1.16 . . . . 0.0 113.17 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.418 ' H ' ' HD2' ' D' ' 21' ' ' PRO . 8.6 mmt -134.38 -65.8 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.796 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' H ' ' D' ' 20' ' ' MET . 55.4 Cg_endo -69.39 -23.73 32.15 Favored 'Trans proline' 0 N--CA 1.504 2.123 0 C-N-CA 121.815 1.677 . . . . 0.0 109.939 177.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.447 ' NE2' ' H ' ' D' ' 19' ' ' GLU . 52.8 mt-30 -73.34 -12.73 60.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.237 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.98 82.83 0.67 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' E' ' 28' ' ' LEU . . . -76.58 176.35 8.43 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.907 -177.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.497 HH22 ' HE ' ' C' ' 25' ' ' ARG . 47.4 tpt85 -69.71 116.73 10.44 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.441 ' HB2' ' NE2' ' E' ' 26' ' ' GLN . 20.1 mt-30 66.58 43.31 2.54 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.233 -1.349 . . . . 0.0 107.514 -174.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.535 HD22 ' H ' ' D' ' 24' ' ' ALA . 11.0 t-20 -45.46 -32.68 2.28 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.589 ' HB3' ' HB1' ' C' ' 24' ' ' ALA . 3.2 mm? -62.93 -58.55 6.98 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.807 0.692 . . . . 0.0 109.702 178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -63.31 -38.92 93.06 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.382 0.426 . . . . 0.0 111.281 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.76 -44.34 96.85 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.317 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.79 -43.74 98.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.108 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -71.64 -60.04 2.44 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' C' ' 37' ' ' LEU . 71.6 mt -64.4 -45.5 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.067 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.456 HD21 ' N ' ' E' ' 33' ' ' ILE . 31.3 m120 -61.7 -41.57 97.77 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.052 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 44.9 t80 -56.71 -44.47 81.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -64.81 -54.9 23.93 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 123.979 0.799 . . . . 0.0 110.266 178.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' E' ' 33' ' ' ILE . 29.2 mt -53.88 -46.18 71.27 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.727 0.642 . . . . 0.0 109.443 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.01 -42.59 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 125.174 1.546 . . . . 0.0 108.772 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 28.2 mt -62.24 -43.97 97.61 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.393 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.757 HD11 ' SG ' ' C' ' 41' ' ' CYS . 39.5 mm -63.77 -42.85 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.327 1.017 . . . . 0.0 110.011 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 70.8 m -57.6 -48.67 78.77 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.008 0.818 . . . . 0.0 108.81 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' D' ' 45' ' ' ILE . 59.0 mt -62.75 -41.36 99.17 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.898 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.3 tp -66.14 -50.88 62.45 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.569 HD13 HG23 ' E' ' 40' ' ' ILE . 6.9 mt -52.18 -36.58 52.17 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.623 0.369 . . . . 0.0 110.409 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.4 mt -62.7 -42.62 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.28 -37.95 89.32 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' D' ' 44' ' ' LEU . 96.2 mt -63.89 -43.13 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.5 HD11 HG13 ' E' ' 47' ' ' ILE . 2.0 mm -63.03 -44.49 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 124.649 1.218 . . . . 0.0 110.448 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.36 -44.47 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.86 -31.28 70.98 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.417 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.73 -42.3 70.73 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.351 0.673 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.605 179.027 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.27 -37.87 78.71 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.318 1.011 . . . . 0.0 109.787 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.55 -44.98 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.374 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.24 -41.6 99.11 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.223 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -62.17 -39.87 94.12 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.422 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.25 -42.3 99.2 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -62.74 -46.3 88.71 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -63.17 -40.86 98.75 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.101 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 62.2 m -65.57 -37.9 88.0 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.052 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.45 92.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.41 -42.72 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.42 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.9 ttp180 -61.0 -41.76 97.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.634 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.42 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.4 OUTLIER -64.48 -46.93 80.91 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.682 178.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.96 61.91 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.177 0.923 . . . . 0.0 110.548 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 57.2 p -66.42 -36.02 81.76 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.05 0.219 . . . . 0.0 110.418 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.76 -179.54 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 123.874 0.734 . . . . 0.0 109.379 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 40.2 30.43 0.07 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.34 1.056 . . . . 0.0 113.079 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.411 ' H ' ' HD2' ' E' ' 21' ' ' PRO . 8.2 mmt -134.97 -65.66 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.411 ' HD2' ' H ' ' E' ' 20' ' ' MET . 55.2 Cg_endo -69.93 -23.33 30.14 Favored 'Trans proline' 0 N--CA 1.505 2.194 0 C-N-CA 121.586 1.524 . . . . 0.0 109.563 176.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -73.14 -11.21 60.45 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.321 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.82 76.45 1.61 Allowed 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.001 0.905 . . . . 0.0 109.004 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 28' ' ' LEU . . . -69.54 177.45 2.93 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 113.989 -1.46 . . . . 0.0 112.617 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.495 HH11 ' N ' ' E' ' 26' ' ' GLN . 52.4 tpt85 -73.09 123.03 22.76 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.495 ' N ' HH11 ' E' ' 25' ' ' ARG . 0.8 OUTLIER 66.92 35.14 4.93 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.813 -177.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.432 HD22 ' H ' ' E' ' 24' ' ' ALA . 6.0 t-20 -40.05 -36.52 0.49 Allowed 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.494 -1.23 . . . . 0.0 114.218 -177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.596 ' HB3' ' HB1' ' D' ' 24' ' ' ALA . 3.5 mm? -61.75 -55.73 27.11 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.423 0.452 . . . . 0.0 110.245 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -66.94 -35.69 80.56 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.634 0.584 . . . . 0.0 110.975 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.77 -46.28 89.66 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.62 -41.85 98.05 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.058 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -73.26 -60.95 2.0 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' D' ' 37' ' ' LEU . 61.8 mt -64.03 -46.24 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.155 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.471 HD21 ' N ' ' A' ' 33' ' ' ILE . 31.5 m120 -60.54 -41.81 95.23 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.382 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 38.5 t80 -57.88 -44.79 86.89 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.477 0.485 . . . . 0.0 110.141 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -67.63 -40.24 84.61 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.375 0.422 . . . . 0.0 111.848 179.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 33' ' ' ILE . 30.2 mt -65.21 -46.94 78.66 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.769 0.795 . . . . 0.0 109.773 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.4 -42.1 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.944 -1.934 . . . . 0.0 109.181 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.528 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 20.6 mt -61.01 -45.11 96.15 Favored 'General case' 0 C--N 1.347 0.47 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.569 HG23 HD13 ' D' ' 44' ' ' LEU . 62.1 mt -67.48 -40.67 84.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 O-C-N 124.121 0.888 . . . . 0.0 110.221 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 79.3 m -56.09 -49.0 75.06 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.484 ' HA ' HD12 ' E' ' 45' ' ' ILE . 59.3 mt -62.9 -41.45 99.44 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.349 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.0 tp -64.56 -50.69 66.26 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' E' ' 47' ' ' ILE . 3.1 mt -53.84 -34.77 60.3 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.147 0.43 . . . . 0.0 110.521 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' E' ' 42' ' ' LEU . 57.7 mt -62.37 -42.13 94.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.5 m -64.31 -38.36 90.77 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.5 mt -63.85 -43.98 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.541 HD11 HG13 ' A' ' 47' ' ' ILE . 1.8 mm -63.72 -44.65 98.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.432 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.219 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.443 HG23 ' O ' ' E' ' 45' ' ' ILE . 44.7 t -62.89 -46.19 96.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.566 0.541 . . . . 0.0 109.931 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.72 -49.74 73.87 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.72 -41.45 73.87 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.768 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.306 178.097 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.24 -38.01 89.5 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.757 0.661 . . . . 0.0 109.286 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -65.07 -42.18 94.41 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 124.449 1.093 . . . . 0.0 109.719 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.23 -44.28 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 124.055 0.847 . . . . 0.0 108.938 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -62.2 -42.48 99.33 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 124.279 0.987 . . . . 0.0 109.179 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -62.83 -40.05 96.22 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.04 0.837 . . . . 0.0 109.156 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.84 -42.65 99.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.7 -46.36 88.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.59 -41.43 98.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.117 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -64.76 -40.76 95.82 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.058 0.849 . . . . 0.0 110.306 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.84 96.32 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.61 -42.26 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.959 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.0 ttp180 -60.64 -43.44 97.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.917 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.79 -44.32 93.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.855 179.118 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.5 80.9 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.858 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -147.95 140.34 24.41 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.979 0.419 . . . . 0.0 111.444 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.28 117.49 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.326 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -85.4 147.83 26.3 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.135 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ttt -170.76 -59.17 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.134 0 O-C-N 123.922 0.764 . . . . 0.0 110.5 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -75.14 145.68 31.25 Favored 'Trans proline' 0 N--CA 1.509 2.406 0 C-N-CA 122.392 2.061 . . . . 0.0 113.026 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 35.3 mm-40 -77.02 -44.87 29.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.901 0.751 . . . . 0.0 111.063 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.55 -160.67 1.08 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.644 0.59 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.16 -149.05 0.2 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 123.388 0.675 . . . . 0.0 110.851 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.6 HH11 ' H ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -24.49 -57.43 0.05 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.436 1.494 . . . . 0.0 113.766 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.6 ' H ' HH11 ' A' ' 25' ' ' ARG . 35.5 mt-30 -49.65 -64.02 0.93 Allowed 'General case' 0 N--CA 1.483 1.21 0 O-C-N 123.461 0.475 . . . . 0.0 110.917 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 22' ' ' GLN . 10.7 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.867 0.729 . . . . 0.0 112.007 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -46.69 89.28 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -39.15 91.39 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.68 0.792 . . . . 0.0 110.44 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -56.62 -46.16 81.09 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.24 -46.03 82.19 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.898 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.43 -51.37 66.01 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.764 0.665 . . . . 0.0 112.774 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' E' ' 37' ' ' LEU . 60.2 mt -64.69 -44.85 96.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 O-C-N 123.437 0.461 . . . . 0.0 110.327 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.43 HD21 ' N ' ' B' ' 33' ' ' ILE . 8.6 m120 -60.61 -44.12 96.66 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 39' ' ' LEU . 48.0 t80 -58.72 -43.59 90.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.89 0.744 . . . . 0.0 109.931 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -64.92 -53.21 49.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.843 0.715 . . . . 0.0 110.517 179.44 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' B' ' 33' ' ' ILE . 14.5 mt -55.98 -45.19 79.03 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.52 -41.44 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.565 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.6 mt -64.15 -41.77 97.04 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.525 HG23 HD11 ' E' ' 44' ' ' LEU . 36.8 mm -62.37 -44.7 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 68.0 m -57.24 -49.78 74.94 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.609 0.568 . . . . 0.0 109.874 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 mt -62.29 -43.65 98.33 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.354 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 44' ' ' LEU . 12.0 tp -66.82 -48.21 69.64 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.572 0.545 . . . . 0.0 109.771 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.586 HD11 HG23 ' B' ' 40' ' ' ILE . 14.3 mt -51.04 -34.9 31.64 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.508 0.323 . . . . 0.0 110.497 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 49' ' ' VAL . 68.9 mt -62.44 -42.23 94.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.38 -38.78 92.25 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.575 HG13 HD11 ' E' ' 48' ' ' ILE . 96.6 mt -63.99 -43.64 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.514 HD11 HG13 ' B' ' 47' ' ' ILE . 1.6 mm -62.9 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.836 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 45' ' ' ILE . 43.6 t -62.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 123.925 0.766 . . . . 0.0 109.676 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mmm -61.83 -53.01 61.77 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.17 -39.51 69.6 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.071 0.857 . . . . 0.0 110.222 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.274 177.687 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.76 -37.63 87.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.8 -42.22 95.2 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 124.536 1.147 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.28 -44.42 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.021 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.08 -42.33 99.09 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.096 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.66 -40.28 96.56 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 124.058 0.849 . . . . 0.0 109.054 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.42 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -61.82 -42.73 99.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.3 m -62.67 -46.34 88.61 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.104 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.115 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.83 -40.78 95.73 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.933 0.771 . . . . 0.0 110.283 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.99 96.21 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.31 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.018 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.499 ' HE ' HH12 ' B' ' 14' ' ' ARG . 48.9 ttp180 -60.69 -43.4 97.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.499 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -63.78 -44.35 93.65 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.8 179.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -36.62 81.46 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.802 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -147.83 140.54 24.69 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.943 0.402 . . . . 0.0 111.476 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.36 118.01 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.314 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.86 146.96 26.5 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ttt -169.9 -60.07 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.121 0 O-C-N 123.839 0.712 . . . . 0.0 110.462 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.88 144.9 31.27 Favored 'Trans proline' 0 N--CA 1.509 2.41 0 C-N-CA 122.267 1.978 . . . . 0.0 113.066 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.434 ' H ' ' ND2' ' B' ' 27' ' ' ASN . 33.6 mm-40 -75.18 -46.22 35.57 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.829 0.706 . . . . 0.0 110.937 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -135.49 -156.08 0.69 Allowed 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.864 0.728 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.54 -145.05 0.25 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.329 0.651 . . . . 0.0 112.143 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.628 HH11 ' H ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -34.52 -33.26 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -178.02 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.628 ' H ' HH11 ' B' ' 25' ' ' ARG . 40.9 mt-30 -70.17 -63.67 1.04 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' H ' ' B' ' 22' ' ' GLN . 10.5 t30 -58.71 -39.39 80.65 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.384 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.54 -47.75 84.16 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.59 -38.92 92.67 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 123.84 0.713 . . . . 0.0 110.522 177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -57.11 -46.36 82.67 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 123.891 0.745 . . . . 0.0 109.14 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.16 -46.08 82.32 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.199 0.937 . . . . 0.0 110.714 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.22 -51.78 64.9 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.789 0.681 . . . . 0.0 112.734 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' A' ' 37' ' ' LEU . 58.3 mt -65.02 -44.64 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.633 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.441 HD21 ' N ' ' C' ' 33' ' ' ILE . 8.5 m120 -60.4 -43.54 96.59 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.544 0.528 . . . . 0.0 109.591 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' B' ' 39' ' ' LEU . 46.1 t80 -60.31 -44.72 95.18 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.062 0.851 . . . . 0.0 110.319 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -66.99 -39.73 87.21 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.847 0.717 . . . . 0.0 111.786 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.612 ' CD1' HG23 ' C' ' 33' ' ' ILE . 17.9 mt -66.11 -45.51 80.87 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.124 0.964 . . . . 0.0 109.036 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -56.46 -40.67 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 111.59 -2.55 . . . . 0.0 107.908 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -63.44 -41.9 98.66 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 118.947 -0.549 . . . . 0.0 109.819 177.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 44' ' ' LEU . 22.5 mm -62.99 -44.93 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 63.8 m -55.98 -49.98 72.1 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 123.001 0.52 . . . . 0.0 109.995 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.18 -42.62 99.4 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' A' ' 44' ' ' LEU . 14.2 tp -75.88 -23.77 55.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.048 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.665 HD11 HG23 ' C' ' 40' ' ' ILE . 11.9 mt -70.19 -36.03 74.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.418 ' O ' HG23 ' B' ' 49' ' ' VAL . 70.0 mt -61.64 -41.64 91.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.96 -41.2 99.45 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.514 HG13 HD11 ' A' ' 48' ' ' ILE . 90.2 mt -64.48 -43.18 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.526 HD11 HG13 ' C' ' 47' ' ' ILE . 1.7 mm -62.38 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.293 1.037 . . . . 0.0 110.058 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 45' ' ' ILE . 42.0 t -62.15 -45.23 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.046 0.841 . . . . 0.0 109.593 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 76.6 mmm -62.12 -52.74 62.65 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -55.3 -38.63 68.9 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.285 0.99 . . . . 0.0 110.275 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.408 177.663 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -63.8 -38.01 89.5 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -41.93 95.02 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.593 178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.21 -44.13 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 124.179 0.924 . . . . 0.0 108.892 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.12 -44.33 97.51 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.066 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -62.07 -39.86 93.84 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.995 0.81 . . . . 0.0 109.314 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.442 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.7 OUTLIER -61.73 -43.12 99.46 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -62.87 -46.3 88.54 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.345 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.58 -41.32 98.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.197 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 68.8 m -64.85 -40.8 95.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.163 0.915 . . . . 0.0 110.27 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.93 96.66 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.44 -42.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.99 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.497 ' HE ' HH12 ' C' ' 14' ' ' ARG . 49.0 ttp180 -60.76 -43.38 98.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.925 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.497 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -63.69 -44.44 93.69 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.798 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.57 81.33 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -148.16 140.41 24.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.039 0.447 . . . . 0.0 111.336 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 pt -143.99 117.26 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.083 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.21 147.34 25.62 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.324 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 9.0 ttt -171.53 -53.67 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.178 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.319 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.43 148.45 42.98 Favored 'Trans proline' 0 N--CA 1.509 2.405 0 C-N-CA 122.454 2.103 . . . . 0.0 112.553 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.465 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 37.7 mm-40 -82.83 -44.51 15.39 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.577 0.548 . . . . 0.0 110.018 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -138.28 -164.41 1.62 Allowed 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.895 0.747 . . . . 0.0 109.354 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.26 -151.68 0.2 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.519 0.728 . . . . 0.0 111.375 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.649 HH11 ' H ' ' C' ' 26' ' ' GLN . 0.0 OUTLIER -18.88 -61.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.988 1.715 . . . . 0.0 114.024 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.649 ' H ' HH11 ' C' ' 25' ' ' ARG . 64.1 mt-30 -47.39 -64.92 0.66 Allowed 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.699 0.624 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' H ' ' C' ' 22' ' ' GLN . 10.4 t30 -58.58 -41.03 84.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.066 0.854 . . . . 0.0 112.084 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.89 -46.55 90.2 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -38.3 90.11 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.801 0.841 . . . . 0.0 110.727 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.62 -45.78 84.95 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -65.78 -45.88 80.8 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 124.364 1.04 . . . . 0.0 110.736 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.1 -51.69 65.61 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.612 HG23 ' CD1' ' B' ' 37' ' ' LEU . 59.7 mt -64.84 -44.82 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 123.352 0.408 . . . . 0.0 110.146 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.46 HD21 ' N ' ' D' ' 33' ' ' ILE . 8.6 m120 -60.74 -43.38 97.99 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.628 0.58 . . . . 0.0 109.518 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' C' ' 39' ' ' LEU . 50.4 t80 -58.93 -43.83 91.24 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.038 0.836 . . . . 0.0 110.344 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.897 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -64.49 -53.84 41.77 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.658 0.599 . . . . 0.0 110.449 179.099 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' D' ' 33' ' ' ILE . 15.4 mt -55.29 -45.54 76.22 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.641 0.734 . . . . 0.0 109.553 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 54.9 mt -57.92 -41.1 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.436 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.9 mt -63.97 -41.3 97.59 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.665 HG23 HD11 ' B' ' 44' ' ' LEU . 32.7 mm -62.02 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 68.4 m -57.27 -49.89 74.63 Favored 'General case' 0 C--N 1.364 1.212 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.66 -41.7 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.681 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.2 tp -76.17 -24.22 54.78 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.59 0.556 . . . . 0.0 111.773 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.636 HD11 HG23 ' D' ' 40' ' ' ILE . 10.8 mt -69.73 -35.73 75.25 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.97 -41.7 91.95 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.66 -41.15 98.91 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.526 HG13 HD11 ' B' ' 48' ' ' ILE . 91.0 mt -64.39 -43.16 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.51 HD11 HG13 ' D' ' 47' ' ' ILE . 1.6 mm -61.78 -46.48 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.54 -45.34 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 123.977 0.798 . . . . 0.0 109.378 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.4 -32.03 73.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.921 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 44.8 tp -74.24 -38.87 63.38 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 CA--C 1.543 0.709 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.47 178.318 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.43 -37.98 87.96 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.92 -42.29 94.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.838 -1.073 . . . . 0.0 109.531 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.97 -44.42 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 124.047 0.842 . . . . 0.0 109.091 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.54 -42.12 99.32 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.195 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.48 -40.05 95.42 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 124.026 0.829 . . . . 0.0 109.215 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.423 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -62.06 -42.59 99.36 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 11.6 m -62.62 -46.26 89.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.261 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.75 -41.34 99.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.112 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -64.84 -40.71 95.61 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 124.022 0.826 . . . . 0.0 110.362 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.86 96.44 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.49 -42.34 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.907 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.487 ' HE ' HH12 ' D' ' 14' ' ' ARG . 49.0 ttp180 -60.67 -43.32 97.8 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.068 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.487 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -63.87 -44.28 93.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.866 179.077 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.64 81.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.776 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -147.83 140.38 24.57 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.019 0.438 . . . . 0.0 111.316 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.21 117.94 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.243 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -86.02 147.13 26.34 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.126 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.9 ttt -169.99 -59.94 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.117 0 O-C-N 123.832 0.707 . . . . 0.0 110.56 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.92 144.4 30.5 Favored 'Trans proline' 0 N--CA 1.509 2.417 0 C-N-CA 122.265 1.977 . . . . 0.0 112.975 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.41 ' H ' ' ND2' ' D' ' 27' ' ' ASN . 33.6 mm-40 -74.62 -46.03 41.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.661 0.601 . . . . 0.0 110.784 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -135.39 -155.39 0.64 Allowed 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.667 0.604 . . . . 0.0 109.949 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.04 -145.25 0.28 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.362 0.665 . . . . 0.0 112.169 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.607 HH11 ' H ' ' D' ' 26' ' ' GLN . 0.0 OUTLIER -34.08 -34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.607 ' H ' HH11 ' D' ' 25' ' ' ARG . 40.4 mt-30 -70.37 -61.47 1.76 Allowed 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.41 ' ND2' ' H ' ' D' ' 22' ' ' GLN . 10.5 t30 -60.25 -39.37 86.51 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 124.054 0.847 . . . . 0.0 111.261 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -47.25 86.84 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.25 93.37 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.787 0.679 . . . . 0.0 110.547 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.69 -46.01 81.44 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 123.726 0.641 . . . . 0.0 109.371 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.44 -45.86 82.15 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 124.268 0.98 . . . . 0.0 110.748 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -63.37 -51.92 63.87 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.82 0.7 . . . . 0.0 112.86 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' C' ' 37' ' ' LEU . 59.2 mt -64.9 -44.7 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.521 0.513 . . . . 0.0 110.301 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.448 HD21 ' N ' ' E' ' 33' ' ' ILE . 8.8 m120 -60.56 -43.99 96.66 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' D' ' 39' ' ' LEU . 45.9 t80 -58.45 -43.96 89.05 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.745 0.653 . . . . 0.0 110.314 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.6 OUTLIER -64.82 -53.64 43.71 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.754 0.659 . . . . 0.0 110.715 179.134 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.579 ' CD1' HG23 ' E' ' 33' ' ' ILE . 14.7 mt -55.82 -45.1 78.41 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.372 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 55.9 mt -57.65 -41.45 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 108.561 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' D' ' 35' ' ' PHE . 25.9 mt -63.68 -41.54 98.14 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.671 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.636 HG23 HD11 ' C' ' 44' ' ' LEU . 34.9 mm -62.22 -44.13 98.75 Favored 'Isoleucine or valine' 0 C--N 1.366 1.318 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 66.4 m -56.94 -49.92 74.19 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.86 0.725 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.42 -42.07 99.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.557 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' C' ' 44' ' ' LEU . 14.0 tp -76.09 -24.1 55.02 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.478 0.486 . . . . 0.0 112.03 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 40' ' ' ILE . 10.8 mt -70.38 -35.35 73.45 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.12 -41.61 91.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.61 -41.12 98.8 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.648 0.593 . . . . 0.0 109.548 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.51 HG13 HD11 ' C' ' 48' ' ' ILE . 90.0 mt -64.32 -43.06 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.504 HD11 HG13 ' E' ' 47' ' ' ILE . 1.3 mm -62.17 -46.32 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.339 1.056 . . . . 0.0 110.137 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.17 -45.03 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -66.31 -31.19 71.84 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.302 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 46.9 tp -74.09 -39.02 63.7 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.455 178.254 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.53 -38.28 89.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.99 -42.05 94.86 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.436 1.085 . . . . 0.0 109.749 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.13 -44.35 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.084 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.19 -42.46 99.31 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.13 0.894 . . . . 0.0 109.114 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -62.6 -40.19 96.14 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 124.103 0.877 . . . . 0.0 109.159 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.411 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -62.56 -46.34 88.79 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -62.67 -41.31 99.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.216 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -64.77 -40.77 95.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.356 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.9 96.25 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.52 -42.4 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.85 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' E' ' 14' ' ' ARG . 49.0 ttp180 -60.6 -43.38 97.49 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.044 0.84 . . . . 0.0 109.984 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -63.78 -44.3 93.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.831 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.61 81.38 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.779 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -148.19 140.37 24.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.936 0.398 . . . . 0.0 111.503 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.35 117.56 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.26 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -85.6 148.21 26.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.131 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.9 ttt -170.75 -59.23 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.12 0 O-C-N 123.867 0.729 . . . . 0.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.59 145.5 29.57 Favored 'Trans proline' 0 N--CA 1.509 2.429 0 C-N-CA 122.474 2.116 . . . . 0.0 112.93 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.417 ' H ' ' ND2' ' E' ' 27' ' ' ASN . 33.9 mm-40 -76.03 -45.21 35.53 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.777 0.673 . . . . 0.0 110.85 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.36 -158.27 0.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.802 0.689 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.88 -149.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 0.0 110.771 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.595 HH11 ' H ' ' E' ' 26' ' ' GLN . 0.0 OUTLIER -20.89 -59.83 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.527 1.531 . . . . 0.0 114.236 -179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.595 ' H ' HH11 ' E' ' 25' ' ' ARG . 64.9 mt-30 -49.03 -64.39 0.82 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.286 0.366 . . . . 0.0 111.089 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' E' ' 22' ' ' GLN . 12.6 t30 -59.45 -40.87 88.23 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.971 0.794 . . . . 0.0 112.024 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.06 -46.62 89.92 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -38.72 90.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.585 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -56.58 -45.77 81.15 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 123.928 0.768 . . . . 0.0 108.957 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -65.7 -45.91 81.01 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.25 0.969 . . . . 0.0 110.826 177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -63.52 -51.56 64.94 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.831 0.707 . . . . 0.0 112.795 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.579 HG23 ' CD1' ' D' ' 37' ' ' LEU . 60.1 mt -64.77 -44.78 96.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 O-C-N 123.523 0.514 . . . . 0.0 110.137 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 33' ' ' ILE . 8.5 m120 -60.74 -44.03 97.18 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' E' ' 39' ' ' LEU . 49.4 t80 -58.66 -43.87 89.97 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.99 0.806 . . . . 0.0 110.182 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -64.78 -53.6 44.42 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.76 0.663 . . . . 0.0 110.634 179.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' A' ' 33' ' ' ILE . 13.2 mt -55.82 -44.88 78.32 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.264 0.554 . . . . 0.0 109.715 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.64 -41.77 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.294 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' E' ' 35' ' ' PHE . 28.9 mt -63.52 -41.64 98.49 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 44' ' ' LEU . 33.8 mm -62.54 -44.05 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.849 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 69.8 m -57.83 -49.73 75.69 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.66 0.6 . . . . 0.0 109.459 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.31 -43.61 98.42 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.267 0.979 . . . . 0.0 111.563 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.4 tp -67.29 -48.21 68.33 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.594 -0.442 . . . . 0.0 109.844 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 43' ' ' LEU . 15.9 mt -51.0 -34.36 28.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.542 0.337 . . . . 0.0 110.596 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.432 ' O ' HG23 ' E' ' 49' ' ' VAL . 67.1 mt -62.67 -42.19 95.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.21 -38.69 91.96 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.504 HG13 HD11 ' D' ' 48' ' ' ILE . 96.7 mt -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.575 HD11 HG13 ' A' ' 47' ' ' ILE . 1.4 mm -62.72 -47.1 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.477 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.432 HG23 ' O ' ' E' ' 45' ' ' ILE . 47.4 t -60.4 -45.71 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 123.98 0.8 . . . . 0.0 109.983 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.42 -52.94 62.49 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 123.681 0.613 . . . . 0.0 109.376 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.1 -39.43 69.32 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.172 0.92 . . . . 0.0 110.39 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.38 177.706 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.23 -37.26 74.51 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.25 -43.14 95.82 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.269 0.981 . . . . 0.0 109.524 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.72 -45.34 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.51 -46.33 89.14 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.03 0.831 . . . . 0.0 109.955 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.97 -40.51 97.93 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.419 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.5 tm? -61.77 -42.87 99.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.781 0.676 . . . . 0.0 109.452 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.33 -47.05 85.95 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.56 -43.67 98.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -40.14 94.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.107 0.88 . . . . 0.0 110.517 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.07 93.17 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.45 0.469 . . . . 0.0 109.747 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.49 -42.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.857 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.38 -44.1 95.96 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 124.119 0.887 . . . . 0.0 109.771 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.484 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -66.14 -44.64 83.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.892 179.003 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.965 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m -62.18 -45.64 92.48 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.519 0.512 . . . . 0.0 110.673 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.08 -0.13 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 123.785 0.678 . . . . 0.0 111.256 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -72.44 113.77 9.83 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -164.03 59.19 0.73 Allowed Pre-proline 0 CA--C 1.554 1.103 0 O-C-N 123.877 0.736 . . . . 0.0 109.792 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -58.97 -31.67 96.07 Favored 'Trans proline' 0 N--CA 1.511 2.545 0 C-N-CA 122.746 2.297 . . . . 0.0 111.461 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -66.79 -37.74 85.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.78 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.93 31.12 0.43 Allowed 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.764 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.43 66.42 8.02 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -52.93 173.24 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 112.854 -1.976 . . . . 0.0 115.521 -176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.6 -39.29 22.41 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 112.009 -2.36 . . . . 0.0 106.65 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' B' ' 24' ' ' ALA . 16.6 t30 -65.4 -41.95 93.09 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.906 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.33 -43.08 99.47 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -37.55 85.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.24 177.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -56.45 -45.51 80.78 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.67 -45.46 89.98 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.367 1.042 . . . . 0.0 110.204 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -62.86 -50.71 69.85 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.214 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' E' ' 37' ' ' LEU . 55.4 mt -65.81 -44.53 92.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.242 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.76 -43.7 94.17 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 39' ' ' LEU . 25.9 t80 -59.2 -44.2 92.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.803 0.689 . . . . 0.0 109.854 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -62.9 -50.84 69.28 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 33' ' ' ILE . 11.4 mt -58.88 -45.29 90.58 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 124.15 0.906 . . . . 0.0 109.272 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.52 -43.19 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.671 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 35' ' ' PHE . 28.1 mt -62.62 -43.38 98.95 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.45 -44.46 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 77.8 m -57.37 -45.7 84.17 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.74 -37.83 88.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.096 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.12 -52.27 50.1 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.631 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' HA ' HD12 ' A' ' 47' ' ' ILE . 5.4 mp -50.53 -38.95 47.42 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.769 0.713 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . 85.9 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -65.38 -34.98 79.59 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.59 0.556 . . . . 0.0 110.143 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 44' ' ' LEU . 70.7 mt -63.99 -42.24 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.49 HD12 ' HG3' ' B' ' 50' ' ' MET . 23.1 mm -64.58 -42.65 95.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' ILE . 55.5 t -61.56 -42.12 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG3' HD12 ' E' ' 48' ' ' ILE . 73.3 mmm -60.67 -58.49 8.23 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.9 tp -47.66 -40.38 19.67 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 124.092 0.87 . . . . 0.0 110.747 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.385 177.718 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -58.0 -37.09 73.61 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.849 0.357 . . . . 0.0 110.065 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.24 -43.12 95.89 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.487 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.83 -45.36 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.66 -46.14 89.92 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.791 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.24 -40.31 97.08 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.867 0.729 . . . . 0.0 109.389 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.5 tm? -61.95 -42.73 99.44 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.972 0.795 . . . . 0.0 109.431 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.5 m -62.62 -46.69 87.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -61.65 -43.59 98.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.224 0.953 . . . . 0.0 109.947 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.9 m -64.93 -40.18 94.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 124.166 0.916 . . . . 0.0 110.381 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.95 93.67 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.542 0.526 . . . . 0.0 109.842 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.75 -42.7 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 124.274 0.984 . . . . 0.0 108.818 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.3 ttp180 -60.58 -43.75 96.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.159 0.912 . . . . 0.0 109.708 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -66.39 -44.63 82.53 Favored 'General case' 0 C--N 1.343 0.324 0 O-C-N 123.892 0.745 . . . . 0.0 109.896 178.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 109.799 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -61.42 -45.63 93.5 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.496 0.497 . . . . 0.0 110.867 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.63 1.11 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.717 0.636 . . . . 0.0 111.211 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -74.48 112.9 11.12 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -163.98 60.66 0.87 Allowed Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 123.992 0.807 . . . . 0.0 109.674 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.05 -31.77 96.23 Favored 'Trans proline' 0 N--CA 1.508 2.366 0 C-N-CA 122.747 2.298 . . . . 0.0 111.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -65.68 -39.09 90.95 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.833 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.11 28.65 0.8 Allowed 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.963 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -58.7 -26.38 63.82 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 47.64 167.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -89.35 -41.9 11.87 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 110.875 -2.875 . . . . 0.0 108.377 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -64.99 -42.75 94.25 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.52 -42.75 97.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -37.75 86.32 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.837 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -56.5 -44.96 81.21 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.57 -45.44 87.02 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.222 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -62.82 -50.38 71.2 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.899 0.749 . . . . 0.0 112.249 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 37' ' ' LEU . 52.1 mt -65.7 -44.39 93.36 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.317 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.0 -43.57 95.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' B' ' 39' ' ' LEU . 26.5 t80 -59.71 -44.25 93.79 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.712 0.633 . . . . 0.0 109.833 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -63.65 -50.35 69.63 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.726 0.641 . . . . 0.0 110.621 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' C' ' 33' ' ' ILE . 11.1 mt -57.78 -46.53 84.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -58.79 -43.42 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.536 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' B' ' 35' ' ' PHE . 22.7 mt -63.24 -42.49 99.23 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' B' ' 44' ' ' LEU . 19.5 mm -63.93 -43.25 97.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 72.2 m -57.7 -46.96 83.64 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.845 0.716 . . . . 0.0 109.331 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.87 -38.77 92.09 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.369 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.44 -27.91 60.81 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 124.026 0.829 . . . . 0.0 111.633 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' B' ' 40' ' ' ILE . 3.6 mt -67.89 -39.32 83.69 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.88 -42.65 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.74 -36.55 83.37 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 123.699 0.624 . . . . 0.0 109.732 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.427 HG12 HD11 ' A' ' 48' ' ' ILE . 48.1 mt -63.3 -41.84 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.429 HD11 ' CG1' ' C' ' 47' ' ' ILE . 24.9 mm -64.16 -42.58 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 63.1 t -62.79 -43.02 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.49 ' HG3' HD12 ' A' ' 48' ' ' ILE . 81.0 mmm -65.63 -37.55 86.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.166 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -41.45 97.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.247 177.72 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -58.74 -36.7 74.74 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -64.34 -43.22 95.29 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.488 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.77 -45.65 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -58.78 -46.24 87.99 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.272 0.982 . . . . 0.0 109.569 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -63.63 -39.99 95.76 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 124.017 0.823 . . . . 0.0 109.282 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.503 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.5 tm? -62.18 -41.88 98.75 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.977 0.798 . . . . 0.0 109.472 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -62.92 -47.42 83.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.05 -42.98 99.75 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.081 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -63.4 -42.18 98.77 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 124.36 1.038 . . . . 0.0 110.228 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.87 90.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.25 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -64.17 -42.85 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.443 HH21 ' NH2' ' C' ' 14' ' ' ARG . 49.3 ttp180 -60.63 -43.66 97.27 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 124.05 0.844 . . . . 0.0 109.599 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.443 ' NH2' HH21 ' C' ' 13' ' ' ARG . 0.4 OUTLIER -66.17 -44.38 84.21 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.971 178.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.27 96.3 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 123.807 0.692 . . . . 0.0 109.915 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -62.24 -45.77 91.84 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.563 0.539 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -0.08 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 123.751 0.657 . . . . 0.0 111.342 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -72.13 113.65 9.39 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -163.99 59.41 0.76 Allowed Pre-proline 0 CA--C 1.553 1.081 0 O-C-N 123.875 0.734 . . . . 0.0 109.769 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.92 -31.64 95.87 Favored 'Trans proline' 0 N--CA 1.51 2.497 0 C-N-CA 122.913 2.408 . . . . 0.0 111.393 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -66.63 -37.98 85.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.784 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.54 31.06 0.47 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.931 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 65.59 7.3 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -51.87 173.08 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 112.593 -2.094 . . . . 0.0 115.473 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.28 -40.43 21.54 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.887 -2.415 . . . . 0.0 106.5 174.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' D' ' 24' ' ' ALA . 17.1 t30 -65.38 -43.12 91.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.115 0.884 . . . . 0.0 109.474 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -42.69 97.54 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -37.62 86.58 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.267 0.979 . . . . 0.0 110.614 176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.38 -45.79 80.39 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 123.678 0.611 . . . . 0.0 109.51 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.66 -45.17 91.37 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 124.697 1.248 . . . . 0.0 110.553 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -62.91 -50.7 69.84 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 124.074 0.858 . . . . 0.0 112.036 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.575 HG23 ' CD1' ' B' ' 37' ' ' LEU . 54.0 mt -65.72 -44.52 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 119.221 -0.419 . . . . 0.0 110.147 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -59.8 -43.92 94.23 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.677 0.611 . . . . 0.0 109.357 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' C' ' 39' ' ' LEU . 25.9 t80 -59.35 -43.7 92.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.006 0.816 . . . . 0.0 110.05 178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.51 -50.82 68.13 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.027 0.829 . . . . 0.0 110.275 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.57 ' CD1' HG23 ' D' ' 33' ' ' ILE . 11.4 mt -58.45 -45.5 88.43 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.974 0.796 . . . . 0.0 110.141 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.1 -43.41 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.424 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' C' ' 35' ' ' PHE . 23.4 mt -62.03 -43.91 97.83 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.408 HD11 ' SG ' ' B' ' 41' ' ' CYS . 45.5 mt -66.94 -41.56 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.176 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 75.8 m -56.13 -43.87 78.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 53.5 mt -66.39 -35.6 80.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.036 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.41 -31.18 63.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.121 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' C' ' 47' ' ' ILE . 5.6 mp -66.64 -39.2 88.16 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.38 -42.91 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 95.5 m -63.45 -36.67 84.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.944 0.778 . . . . 0.0 109.775 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' C' ' 44' ' ' LEU . 40.4 mt -63.6 -42.41 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.493 HD12 ' HG3' ' D' ' 50' ' ' MET . 24.9 mm -63.75 -42.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.577 0.548 . . . . 0.0 109.692 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.78 -43.38 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.423 ' HG3' HD12 ' B' ' 48' ' ' ILE . 81.5 mmm -65.34 -38.83 91.31 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.15 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.33 -41.57 98.9 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.007 177.808 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.74 -36.98 75.21 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.29 -42.92 96.15 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.723 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.5 -46.62 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -57.93 -46.83 84.41 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.393 1.058 . . . . 0.0 109.82 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.31 -40.42 97.29 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.939 0.774 . . . . 0.0 109.672 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.467 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.5 tm? -61.84 -42.54 99.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.941 0.776 . . . . 0.0 109.495 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.35 -47.21 85.23 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.59 -43.56 98.63 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.967 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -64.78 -40.13 94.75 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 124.008 0.817 . . . . 0.0 110.561 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.92 93.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.82 -42.65 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.826 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.498 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.4 ttp180 -60.61 -43.87 96.95 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.153 0.908 . . . . 0.0 109.708 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.498 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -66.34 -44.48 83.17 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.9 179.051 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.29 98.66 Favored 'General case' 0 C--N 1.34 0.184 0 O-C-N 124.005 0.816 . . . . 0.0 110.017 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -61.49 -45.64 93.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.469 0.481 . . . . 0.0 110.781 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.08 1.73 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 123.568 0.543 . . . . 0.0 111.368 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -74.72 112.22 10.71 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -163.88 60.58 0.87 Allowed Pre-proline 0 CA--C 1.549 0.922 0 O-C-N 124.117 0.886 . . . . 0.0 109.759 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.71 -31.8 95.65 Favored 'Trans proline' 0 N--CA 1.516 2.798 0 C-N-CA 122.936 2.424 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -65.72 -38.75 90.04 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.533 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.0 27.78 0.98 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.329 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' C' ' 27' ' ' ASN . . . -58.59 -26.34 63.54 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 48.95 165.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -88.33 -41.66 12.72 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.659 -2.973 . . . . 0.0 108.398 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.452 ' OD1' ' HB3' ' E' ' 24' ' ' ALA . 17.9 t30 -65.37 -42.87 92.28 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.342 0.657 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.55 -42.27 98.59 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -37.51 86.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 124.255 0.972 . . . . 0.0 110.013 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -56.59 -45.0 81.61 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.11 -44.98 90.6 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 124.681 1.238 . . . . 0.0 110.414 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -63.37 -50.98 67.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.929 0.768 . . . . 0.0 112.135 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' C' ' 37' ' ' LEU . 57.7 mt -65.3 -44.63 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 123.428 0.455 . . . . 0.0 110.091 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -59.74 -43.78 94.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' D' ' 39' ' ' LEU . 27.6 t80 -60.35 -44.12 95.83 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.8 OUTLIER -66.19 -38.87 89.05 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.488 0.493 . . . . 0.0 111.418 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' E' ' 33' ' ' ILE . 13.1 mt -67.16 -45.6 76.54 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.61 -41.6 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.955 1.41 . . . . 0.0 108.053 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' D' ' 35' ' ' PHE . 26.4 mt -63.1 -44.4 95.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.41 -44.08 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 71.4 m -55.97 -45.96 78.76 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.676 0.61 . . . . 0.0 110.092 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.0 mt -65.84 -34.86 79.12 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.83 -30.92 61.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.505 HD23 HD11 ' E' ' 47' ' ' ILE . 5.4 mp -65.71 -39.06 90.82 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.89 -43.22 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -63.56 -37.19 86.36 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.894 0.746 . . . . 0.0 110.001 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' D' ' 44' ' ' LEU . 48.2 mt -63.38 -41.88 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.585 HD11 HG12 ' E' ' 47' ' ' ILE . 22.9 mm -64.56 -42.51 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.35 -43.36 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.493 ' HG3' HD12 ' C' ' 48' ' ' ILE . 81.5 mmm -65.06 -39.0 92.64 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.217 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.86 -41.71 99.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.437 177.312 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.5 -37.18 72.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.85 0.357 . . . . 0.0 110.065 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -63.93 -43.35 96.13 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.555 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.79 -45.58 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 124.192 0.933 . . . . 0.0 108.742 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -58.75 -46.9 86.39 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.164 0.915 . . . . 0.0 109.81 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.0 -40.44 97.77 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.739 0.649 . . . . 0.0 109.517 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.492 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.6 tm? -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.896 0.747 . . . . 0.0 109.567 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -63.08 -46.61 86.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -61.76 -43.3 99.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.026 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -65.03 -40.09 94.34 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 124.046 0.842 . . . . 0.0 110.575 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.86 93.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.91 -42.73 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.787 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.485 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -60.49 -44.03 96.39 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.158 0.911 . . . . 0.0 109.774 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.485 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -66.09 -44.8 83.34 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.815 178.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.56 96.6 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.984 0.803 . . . . 0.0 109.855 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -62.09 -45.76 92.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.646 0.591 . . . . 0.0 110.71 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.37 0.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.556 0.535 . . . . 0.0 111.298 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.79 113.8 11.34 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -165.21 60.38 0.7 Allowed Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 124.073 0.858 . . . . 0.0 109.798 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.86 -32.28 96.96 Favored 'Trans proline' 0 N--CA 1.511 2.536 0 C-N-CA 122.815 2.343 . . . . 0.0 111.311 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.42 -38.43 89.89 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.742 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.4 28.96 0.8 Allowed 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.203 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' D' ' 27' ' ' ASN . . . -58.65 -26.47 63.8 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 47.75 165.27 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 175.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.75 -42.45 13.32 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 110.272 -3.149 . . . . 0.0 108.108 176.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -64.45 -42.7 95.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.893 0.746 . . . . 0.0 110.482 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.44 -42.9 99.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -37.43 86.84 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.039 0.837 . . . . 0.0 110.084 177.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.95 -45.33 82.9 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.32 -44.74 90.6 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.115 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -62.98 -50.77 69.46 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.907 0.754 . . . . 0.0 112.144 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' D' ' 37' ' ' LEU . 56.8 mt -65.82 -44.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.086 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.39 -43.84 92.88 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' E' ' 39' ' ' LEU . 26.3 t80 -60.99 -44.57 97.19 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.837 0.711 . . . . 0.0 109.729 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.7 OUTLIER -63.75 -40.14 95.98 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.491 179.088 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.565 ' CD1' HG23 ' A' ' 33' ' ' ILE . 6.6 mt -64.25 -70.98 0.19 Allowed 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 104.076 -2.564 . . . . 0.0 104.076 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -35.85 -42.98 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 125.119 1.512 . . . . 0.0 109.654 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' E' ' 35' ' ' PHE . 23.8 mt -63.35 -46.82 84.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.507 0.323 . . . . 0.0 110.819 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' E' ' 37' ' ' LEU . 7.5 mm -63.28 -43.42 98.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 61.1 m -56.56 -46.35 80.78 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 123.628 0.58 . . . . 0.0 109.689 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.71 -35.52 81.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.689 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.2 -52.15 44.68 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.636 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.2 mp -50.58 -38.93 48.14 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.457 0.571 . . . . 0.0 109.697 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.52 -44.57 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.6 m -65.69 -34.45 78.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.917 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' E' ' 44' ' ' LEU . 70.1 mt -64.03 -41.88 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 47' ' ' ILE . 23.8 mm -64.53 -41.96 93.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.16 -42.91 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.79 -39.38 93.5 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.864 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 124.03 0.832 . . . . 0.0 108.813 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.143 177.75 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.53 -37.35 78.16 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.173 0.511 . . . . 0.0 109.681 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.47 -42.05 96.15 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.436 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.02 -45.34 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 123.977 0.798 . . . . 0.0 108.863 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -60.29 -47.39 86.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.646 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.73 -40.53 97.5 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 124.09 0.868 . . . . 0.0 109.793 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 tm? -61.66 -43.22 99.27 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.749 0.655 . . . . 0.0 109.508 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.27 -46.69 87.67 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.62 -42.62 99.14 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.098 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.6 m -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 124.091 0.869 . . . . 0.0 110.573 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.86 92.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.43 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.57 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 HH21 ' NH2' ' A' ' 14' ' ' ARG . 50.6 ttp180 -60.76 -40.98 94.51 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.249 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' NH2' HH21 ' A' ' 13' ' ' ARG . 0.2 OUTLIER -74.37 -20.15 60.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.925 0.766 . . . . 0.0 111.518 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.46 66.97 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . 0.58 ' O1P' HG23 ' A' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.58 HG23 ' O1P' ' A' ' 16' ' ' SEP . 17.6 p -63.43 -17.14 62.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.8 pt -72.35 130.93 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.196 0.31 . . . . 0.0 110.413 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -130.28 128.4 41.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.831 0.707 . . . . 0.0 109.446 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.9 ttt -162.17 63.13 1.46 Allowed Pre-proline 0 CA--C 1.553 1.075 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -60.13 -24.16 75.96 Favored 'Trans proline' 0 N--CA 1.514 2.699 0 C-N-CA 122.879 2.386 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.81 -19.37 64.96 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.118 0.886 . . . . 0.0 111.76 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -42.96 104.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.281 0.988 . . . . 0.0 112.879 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.56 133.19 0.78 Allowed 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.499 -1.228 . . . . 0.0 108.664 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' E' ' 27' ' ' ASN . 8.4 ttp180 -16.95 -77.87 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.012 1.325 . . . . 0.0 112.97 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.481 HE21 ' NE2' ' E' ' 26' ' ' GLN . 70.3 mt-30 -44.14 -52.51 7.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.116 0.26 . . . . 0.0 111.658 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.63 -38.71 85.68 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.076 0.551 . . . . 0.0 111.247 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.12 -35.76 77.9 Favored 'General case' 0 N--CA 1.461 0.109 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HG2' HD12 ' A' ' 33' ' ' ILE . 36.0 tt0 -65.87 -37.57 86.51 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.22 -46.29 89.53 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.22 -44.23 95.36 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.642 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -74.51 -57.54 3.87 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' E' ' 37' ' ' LEU . 63.2 mt -65.0 -45.85 93.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.48 -176.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 HD21 ' N ' ' B' ' 33' ' ' ILE . 30.7 m120 -60.92 -41.44 96.19 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.717 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 50.1 t80 -57.77 -45.81 85.45 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.6 OUTLIER -67.93 -38.85 83.4 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.947 0.779 . . . . 0.0 111.811 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.67 HD11 HG23 ' B' ' 33' ' ' ILE . 46.7 mt -67.49 -45.89 74.54 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.288 0.566 . . . . 0.0 109.905 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.14 -41.91 85.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.135 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 25.9 mt -61.66 -43.46 98.82 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 HD13 ' E' ' 44' ' ' LEU . 1.5 mm -65.51 -42.39 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 O-C-N 123.754 0.659 . . . . 0.0 109.692 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 70.8 m -57.36 -49.41 76.25 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 45' ' ' ILE . 59.8 mt -63.18 -39.55 94.97 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 124.897 1.373 . . . . 0.0 110.756 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.4 tp -72.88 -25.68 61.17 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.859 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 40' ' ' ILE . 1.6 mt -74.48 -36.09 63.29 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 42' ' ' LEU . 55.5 mt -61.07 -40.72 86.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.37 -42.77 99.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.509 HG13 HD11 ' E' ' 48' ' ' ILE . 91.5 mt -64.57 -43.39 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 123.675 0.609 . . . . 0.0 109.362 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.507 HD11 HG13 ' B' ' 47' ' ' ILE . 2.6 mm -62.51 -44.82 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 124.316 1.01 . . . . 0.0 110.606 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.73 -46.44 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 123.914 0.759 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mmm -63.94 -49.05 74.09 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.874 0.734 . . . . 0.0 109.798 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.53 -42.5 92.44 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.523 0.729 . . . . 0.0 110.187 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.767 178.616 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.23 -36.88 76.24 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.204 0.526 . . . . 0.0 109.767 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.7 -41.99 95.61 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.633 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.42 -44.47 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.22 -47.34 86.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.541 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -63.0 -41.02 99.48 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 124.043 0.839 . . . . 0.0 109.846 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.467 HD13 ' C ' ' B' ' 7' ' ' LEU . 3.2 tm? -61.94 -43.27 99.19 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.89 0.744 . . . . 0.0 109.526 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.9 m -62.78 -45.62 91.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -62.56 -42.18 99.38 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.923 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -65.66 -38.41 89.23 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 124.141 0.901 . . . . 0.0 110.55 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.69 91.25 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.618 0.574 . . . . 0.0 109.601 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.37 -42.41 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.443 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.8 ttp180 -60.64 -40.96 93.89 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.137 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.443 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -74.46 -20.01 60.17 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.944 0.777 . . . . 0.0 111.517 179.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -24.63 66.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . 0.573 ' O1P' HG23 ' B' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.573 HG23 ' O1P' ' B' ' 16' ' ' SEP . 17.9 p -63.67 -16.97 62.41 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 123.079 0.237 . . . . 0.0 111.613 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 pt -72.3 130.84 35.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.258 0.349 . . . . 0.0 110.266 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -130.26 127.68 40.06 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.811 0.694 . . . . 0.0 109.584 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.2 ttt -161.3 62.47 1.54 Allowed Pre-proline 0 CA--C 1.55 0.976 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.57 -24.03 77.17 Favored 'Trans proline' 0 N--CA 1.517 2.861 0 C-N-CA 122.78 2.32 . . . . 0.0 112.463 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.73 -20.8 65.27 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.797 0.686 . . . . 0.0 111.682 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -41.77 101.59 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 O-C-N 124.393 1.058 . . . . 0.0 112.89 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.435 ' HB1' ' NH1' ' C' ' 25' ' ' ARG . . . -163.52 139.41 6.69 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.021 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -33.68 -41.4 0.09 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.544 ' H ' ' NH1' ' C' ' 25' ' ' ARG . 82.8 mt-30 -73.22 -49.67 26.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -61.61 -34.7 76.1 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.352 1.061 . . . . 0.0 110.373 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.72 -39.25 90.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' B' ' 33' ' ' ILE . 34.2 tt0 -65.37 -38.12 89.1 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 123.501 0.501 . . . . 0.0 109.94 177.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.03 -47.13 86.13 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.7 -44.57 96.39 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.825 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -74.52 -56.8 4.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.67 HG23 HD11 ' A' ' 37' ' ' LEU . 59.7 mt -64.38 -46.34 93.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.95 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.457 HD21 ' N ' ' C' ' 33' ' ' ILE . 31.5 m120 -61.22 -40.9 95.73 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.463 0.574 . . . . 0.0 110.416 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 54.3 t80 -57.46 -45.34 84.88 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.69 0.619 . . . . 0.0 109.566 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -66.47 -51.04 61.03 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.014 0.821 . . . . 0.0 110.156 178.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' B' ' 33' ' ' ILE . 29.7 mt -56.77 -44.55 81.91 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.568 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.55 -42.51 91.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.979 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.0 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 28.2 mt -62.0 -42.18 98.87 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 41' ' ' CYS . 1.8 mm -64.23 -42.87 96.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 79.3 m -59.0 -48.42 81.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 123.604 0.565 . . . . 0.0 109.65 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 45' ' ' ILE . 62.4 mt -63.35 -39.9 95.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.391 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 44' ' ' LEU . 13.7 tp -72.87 -25.24 61.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.595 HD13 HG23 ' C' ' 40' ' ' ILE . 1.1 mt -73.89 -36.53 64.79 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' B' ' 42' ' ' LEU . 57.3 mt -61.62 -40.81 87.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.42 -42.78 99.29 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.507 HG13 HD11 ' A' ' 48' ' ' ILE . 89.2 mt -64.54 -43.08 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.418 HD11 HG13 ' C' ' 47' ' ' ILE . 2.1 mm -61.67 -44.72 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 O-C-N 124.059 0.85 . . . . 0.0 110.935 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.76 -47.17 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 124.061 0.851 . . . . 0.0 109.383 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 83.9 mmm -64.88 -50.73 65.43 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 123.886 0.742 . . . . 0.0 110.331 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 tt -56.87 -40.49 76.28 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.209 1.003 . . . . 0.0 110.563 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp . . . . . 0 CA--C 1.544 0.726 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.545 177.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.79 -36.8 77.47 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.42 -42.45 96.03 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.772 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.3 -45.2 96.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -59.67 -47.33 86.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.661 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.23 -40.35 97.21 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 109.725 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.462 HD13 ' C ' ' C' ' 7' ' ' LEU . 3.3 tm? -61.92 -42.95 99.69 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -62.66 -46.57 87.58 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -61.88 -42.42 99.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.835 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.1 m -65.55 -38.86 90.82 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 124.143 0.902 . . . . 0.0 110.466 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.16 91.5 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.16 -42.47 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.489 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.446 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.6 ttp180 -60.77 -40.84 94.07 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.16 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.446 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -74.51 -20.03 60.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.099 0.875 . . . . 0.0 111.527 179.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -24.59 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . 0.581 ' O1P' HG23 ' C' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.581 HG23 ' O1P' ' C' ' 16' ' ' SEP . 18.2 p -63.31 -16.73 61.24 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.083 0.239 . . . . 0.0 111.574 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 pt -73.07 131.81 34.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -132.78 127.56 34.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.765 0.666 . . . . 0.0 109.464 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 11.2 ttt -160.63 63.55 1.9 Allowed Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.8 -23.54 76.85 Favored 'Trans proline' 0 N--CA 1.513 2.631 0 C-N-CA 122.708 2.272 . . . . 0.0 112.52 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.14 -21.13 65.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.861 0.726 . . . . 0.0 111.575 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -40.85 102.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.153 0.908 . . . . 0.0 112.734 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.471 ' HB1' ' NH1' ' D' ' 25' ' ' ARG . . . -163.64 136.25 5.23 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.289 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.544 ' NH1' ' H ' ' B' ' 26' ' ' GLN . 12.5 ttp180 -32.26 -42.4 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.51 ' NE2' HE21 ' D' ' 26' ' ' GLN . 82.4 mt-30 -72.78 -48.19 40.3 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -62.39 -34.4 76.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.427 1.08 . . . . 0.0 110.464 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.82 -38.61 88.78 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.69 -38.2 90.19 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.349 0.406 . . . . 0.0 110.019 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.83 -46.45 89.42 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.27 -44.3 97.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.709 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -74.37 -56.92 4.32 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' B' ' 37' ' ' LEU . 61.2 mt -64.34 -46.72 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.478 -176.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.462 HD21 ' N ' ' D' ' 33' ' ' ILE . 29.7 m120 -60.49 -40.76 92.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.277 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 53.1 t80 -58.62 -44.91 90.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -63.82 -52.59 59.51 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.831 0.707 . . . . 0.0 110.031 178.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' D' ' 33' ' ' ILE . 28.0 mt -52.72 -74.63 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -32.85 -46.92 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.571 1.148 . . . . 0.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 22.1 mt -60.73 -47.59 85.6 Favored 'General case' 0 C--N 1.37 1.457 0 O-C-N 122.191 -0.318 . . . . 0.0 110.429 178.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.595 HG23 HD13 ' B' ' 44' ' ' LEU . 54.6 mt -64.65 -41.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 59.8 m -55.13 -48.21 73.97 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.4 mt -64.53 -37.89 89.13 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.189 -1.368 . . . . 0.0 110.814 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' B' ' 44' ' ' LEU . 14.4 tp -73.39 -28.01 61.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.684 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.53 HD12 HG22 ' C' ' 40' ' ' ILE . 0.7 OUTLIER -72.27 -37.12 69.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.297 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' C' ' 42' ' ' LEU . 58.8 mt -60.46 -41.19 86.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.66 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.56 -44.06 96.57 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.418 HG13 HD11 ' B' ' 48' ' ' ILE . 96.1 mt -65.34 -41.66 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.525 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.506 HD11 HG13 ' D' ' 47' ' ' ILE . 2.3 mm -62.13 -44.29 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 124.181 0.926 . . . . 0.0 110.286 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.47 -46.02 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 123.939 0.774 . . . . 0.0 109.407 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 71.3 mmm -63.33 -49.97 71.85 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 123.776 0.672 . . . . 0.0 109.733 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.94 -42.33 89.54 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.178 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.8 tp . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.814 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.27 -37.01 76.56 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -64.49 -42.26 95.97 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.742 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.2 -45.01 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -60.42 -47.2 87.11 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.741 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -62.76 -40.59 97.74 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.878 0.736 . . . . 0.0 109.661 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.459 ' C ' HD13 ' D' ' 7' ' ' LEU . 3.3 tm? -61.84 -43.14 99.44 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -62.83 -45.72 91.29 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.651 0.594 . . . . 0.0 109.407 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -62.08 -42.72 99.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.082 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -65.12 -39.06 92.57 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 124.15 0.906 . . . . 0.0 110.524 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -43.99 91.36 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.58 0.55 . . . . 0.0 109.705 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.34 -42.33 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.436 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.7 ttp180 -60.76 -41.02 94.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.295 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.436 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -74.29 -19.87 60.33 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.049 0.843 . . . . 0.0 111.459 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -24.38 66.9 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . 0.587 ' O1P' HG23 ' D' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.587 HG23 ' O1P' ' D' ' 16' ' ' SEP . 18.1 p -63.14 -16.61 60.6 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.103 0.252 . . . . 0.0 111.622 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 pt -73.26 131.81 34.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 123.511 0.507 . . . . 0.0 110.026 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -132.6 127.83 35.84 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.754 0.659 . . . . 0.0 109.536 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.2 ttt -161.25 63.82 1.79 Allowed Pre-proline 0 CA--C 1.55 0.961 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -60.25 -23.2 73.4 Favored 'Trans proline' 0 N--CA 1.514 2.705 0 C-N-CA 122.796 2.331 . . . . 0.0 112.498 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.59 -19.37 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.014 0.821 . . . . 0.0 111.837 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -42.91 103.41 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.947 0.899 . . . . 0.0 112.46 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.07 131.96 0.82 Allowed 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.976 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.509 ' NH1' ' H ' ' C' ' 26' ' ' GLN . 7.5 ttp180 -15.79 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.748 1.619 . . . . 0.0 112.554 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.51 ' NE2' HE21 ' E' ' 26' ' ' GLN . 65.6 mt-30 -42.5 -51.49 5.03 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 122.863 0.465 . . . . 0.0 111.042 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.414 ' H ' HH11 ' E' ' 25' ' ' ARG . 8.1 t30 -62.87 -38.22 90.01 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.036 0.534 . . . . 0.0 111.001 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.93 -35.95 78.05 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' D' ' 33' ' ' ILE . 35.3 tt0 -64.64 -38.69 91.85 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.72 -45.39 94.18 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.26 -43.77 98.33 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.749 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -74.54 -58.84 3.03 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.62 HG23 HD11 ' C' ' 37' ' ' LEU . 63.6 mt -63.32 -46.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 CA-C-O 118.803 -0.618 . . . . 0.0 112.39 -176.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.459 HD21 ' N ' ' E' ' 33' ' ' ILE . 31.5 m120 -61.02 -41.46 96.6 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.303 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 51.4 t80 -57.73 -45.41 85.83 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.616 0.572 . . . . 0.0 109.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.821 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -68.4 -39.1 81.77 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.144 0.903 . . . . 0.0 111.929 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.621 HD11 HG23 ' E' ' 33' ' ' ILE . 42.5 mt -67.21 -44.64 79.05 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.52 -42.12 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 125.356 1.66 . . . . 0.0 108.73 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 26.4 mt -62.47 -44.14 97.11 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.543 1.152 . . . . 0.0 109.483 178.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.508 HD11 ' SG ' ' C' ' 41' ' ' CYS . 1.5 mm -64.47 -43.24 96.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 72.2 m -58.22 -49.01 78.57 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.759 0.662 . . . . 0.0 109.316 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' D' ' 45' ' ' ILE . 62.7 mt -62.63 -40.58 97.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' C' ' 44' ' ' LEU . 11.0 tp -64.29 -51.08 65.3 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.55 HD13 HG23 ' E' ' 40' ' ' ILE . 4.7 mt -53.02 -36.68 60.79 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 122.726 0.41 . . . . 0.0 110.384 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' D' ' 42' ' ' LEU . 54.6 mt -61.79 -42.22 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.54 -39.75 94.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.506 HG13 HD11 ' C' ' 48' ' ' ILE . 96.9 mt -64.05 -43.69 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.511 HD11 HG13 ' E' ' 47' ' ' ILE . 2.1 mm -63.19 -44.17 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.419 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 45' ' ' ILE . 48.0 t -63.09 -46.65 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 O-C-N 124.119 0.887 . . . . 0.0 109.769 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mmm -63.57 -50.77 68.15 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 123.868 0.73 . . . . 0.0 109.518 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.28 -42.41 86.47 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.62 0.768 . . . . 0.0 110.482 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.722 178.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.62 -36.75 76.94 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.71 -41.85 95.7 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.64 -43.73 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 124.068 0.855 . . . . 0.0 109.108 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -61.98 -47.1 86.34 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.647 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.87 -41.34 99.35 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.698 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.466 HD13 ' C ' ' E' ' 7' ' ' LEU . 3.2 tm? -61.8 -43.02 99.68 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.838 0.711 . . . . 0.0 109.736 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.88 -45.9 90.38 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -62.45 -42.13 99.24 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.014 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -65.3 -38.81 91.35 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.086 0.866 . . . . 0.0 110.515 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.03 91.82 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.25 -42.38 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.536 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.7 ttp180 -60.68 -40.88 93.81 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.229 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -74.56 -19.89 60.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.937 0.773 . . . . 0.0 111.393 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -24.65 66.82 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . 0.573 ' O1P' HG23 ' E' ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.573 HG23 ' O1P' ' E' ' 16' ' ' SEP . 18.1 p -63.26 -16.87 61.61 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 pt -73.01 132.05 33.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 123.518 0.512 . . . . 0.0 110.026 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -132.76 128.29 36.5 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.869 0.731 . . . . 0.0 109.584 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 11.3 ttt -161.29 63.63 1.74 Allowed Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.52 -22.91 73.81 Favored 'Trans proline' 0 N--CA 1.512 2.592 0 C-N-CA 122.841 2.361 . . . . 0.0 112.592 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -64.87 -18.98 65.64 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.044 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.1 101.92 0.02 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.166 0.984 . . . . 0.0 112.613 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.48 133.05 1.62 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.806 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.414 HH11 ' H ' ' D' ' 27' ' ' ASN . 8.2 ttp180 -17.42 -79.12 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 125.696 1.598 . . . . 0.0 112.601 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.51 HE21 ' NE2' ' D' ' 26' ' ' GLN . 67.6 mt-30 -43.32 -51.92 6.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 123.725 0.64 . . . . 0.0 111.1 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.41 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 8.1 t30 -61.99 -39.09 91.02 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.2 0.6 . . . . 0.0 110.961 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.6 -35.0 75.04 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -65.33 -37.8 88.22 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.73 -46.16 90.82 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.63 -44.09 96.75 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.8 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -74.77 -57.23 4.04 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.621 HG23 HD11 ' D' ' 37' ' ' LEU . 55.9 mt -64.26 -46.9 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.393 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 33' ' ' ILE . 31.7 m120 -60.76 -41.04 94.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.423 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 50.0 t80 -57.29 -44.95 84.52 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.552 0.533 . . . . 0.0 109.867 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.45 -50.75 64.2 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 123.643 0.589 . . . . 0.0 110.795 178.572 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.62 HD11 HG23 ' A' ' 33' ' ' ILE . 46.3 mt -58.26 -46.54 85.83 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.675 0.609 . . . . 0.0 109.674 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.87 -43.96 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 124.707 1.255 . . . . 0.0 109.584 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 23.2 mt -61.41 -44.36 97.28 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.57 0.544 . . . . 0.0 110.054 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.55 HG23 HD13 ' D' ' 44' ' ' LEU . 59.7 mt -67.06 -41.01 86.66 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 124.115 0.884 . . . . 0.0 110.182 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.794 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 83.2 m -55.81 -48.84 74.69 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' E' ' 45' ' ' ILE . 56.8 mt -63.31 -40.57 97.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.591 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.3 tp -64.08 -50.89 66.54 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.535 HD12 HG22 ' E' ' 40' ' ' ILE . 1.7 mt -55.53 -34.0 64.3 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.829 0.452 . . . . 0.0 110.4 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' E' ' 42' ' ' LEU . 52.5 mt -62.06 -41.93 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.11 -39.99 96.32 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.511 HG13 HD11 ' D' ' 48' ' ' ILE . 97.2 mt -63.39 -43.71 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 47' ' ' ILE . 2.4 mm -64.25 -43.95 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.22 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.453 HG23 ' O ' ' E' ' 45' ' ' ILE . 44.2 t -63.47 -46.12 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 O-C-N 124.027 0.83 . . . . 0.0 109.683 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 75.3 mmm -63.75 -50.74 67.86 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.42 -42.29 86.88 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 124.083 0.865 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 CA--C 1.543 0.709 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.502 178.274 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.57 -38.12 89.92 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.83 -42.41 94.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.348 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.74 -44.17 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.217 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.48 -44.17 96.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.31 -40.36 97.12 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 123.951 0.782 . . . . 0.0 109.228 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -61.61 -41.95 98.19 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.968 0.792 . . . . 0.0 109.066 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -62.5 -46.27 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -62.53 -41.96 99.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.924 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -65.51 -38.66 90.34 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 124.06 0.85 . . . . 0.0 110.419 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.96 92.72 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.607 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 124.119 0.887 . . . . 0.0 108.655 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HE ' HH12 ' A' ' 14' ' ' ARG . 50.3 ttp180 -60.02 -40.81 90.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.401 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -70.31 -41.41 73.33 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.605 178.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 4.79 19.13 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.047 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 p -144.82 55.8 1.25 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.4 pt -77.26 131.7 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.761 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -123.65 -47.87 1.94 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.336 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptp 33.78 55.04 1.51 Allowed Pre-proline 0 CA--C 1.562 1.415 0 C-N-CA 125.193 1.397 . . . . 0.0 114.024 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HD2' ' HB2' ' A' ' 24' ' ' ALA . 61.1 Cg_endo -69.55 -177.59 1.88 Allowed 'Trans proline' 0 N--CA 1.517 2.898 0 C-N-CA 122.886 2.391 . . . . 0.0 112.031 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.57 -40.22 88.86 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.413 0.625 . . . . 0.0 109.464 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -75.66 -5.75 47.07 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.538 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.671 ' HB3' ' HG ' ' A' ' 28' ' ' LEU . . . -59.1 -43.48 91.87 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -168.72 170.73 9.15 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -62.87 -36.76 84.33 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.667 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.02 -36.11 82.91 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 113.963 -1.472 . . . . 0.0 111.39 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.671 ' HG ' ' HB3' ' A' ' 24' ' ' ALA . 3.8 mm? -60.42 -35.12 75.06 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.653 0.596 . . . . 0.0 110.694 -179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.42 -37.77 76.06 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 117.849 0.295 . . . . 0.0 111.193 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.37 -45.99 89.9 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 124.47 1.106 . . . . 0.0 110.079 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.8 -49.06 79.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.296 -178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -66.18 -50.51 63.63 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.52 -45.69 97.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 O-C-N 123.762 0.664 . . . . 0.0 110.039 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.96 -42.07 94.93 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.619 0.574 . . . . 0.0 110.34 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 57.9 t80 -56.01 -47.24 78.16 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.692 0.62 . . . . 0.0 110.991 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -65.08 -49.7 69.02 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.75 -43.6 94.21 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.794 0.684 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.0 mt -59.32 -43.11 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.289 0.993 . . . . 0.0 108.598 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 32.7 mt -62.03 -42.28 99.0 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 44' ' ' LEU . 23.8 mm -63.66 -42.47 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.227 -0.656 . . . . 0.0 109.227 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 58.4 m -57.15 -48.4 78.8 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.42 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.218 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.81 -28.51 58.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.841 0.457 . . . . 0.0 111.352 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.674 ' CD1' HD12 ' B' ' 40' ' ' ILE . 4.2 mt -68.35 -39.23 81.94 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.05 -42.71 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.98 -37.1 85.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.616 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 44' ' ' LEU . 48.2 mt -63.37 -42.16 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.435 HD11 ' CG1' ' B' ' 47' ' ' ILE . 25.4 mm -64.6 -42.53 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 123.583 0.552 . . . . 0.0 109.562 177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.456 ' HG3' HD12 ' E' ' 48' ' ' ILE . 71.8 mmm -65.4 -37.78 88.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.005 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.36 -41.47 96.72 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.395 177.821 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.13 -37.76 88.5 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.05 -42.26 94.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.394 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.85 -44.57 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 124.238 0.961 . . . . 0.0 109.055 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.29 -44.06 95.7 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.155 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.34 -40.74 98.12 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 124.053 0.846 . . . . 0.0 109.292 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.7 OUTLIER -61.57 -41.79 97.91 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.947 0.779 . . . . 0.0 109.155 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.7 m -62.34 -46.61 87.91 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -62.35 -42.17 99.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.12 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.35 -39.42 93.85 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.085 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.08 86.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.239 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.38 -44.89 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 123.78 0.675 . . . . 0.0 110.671 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.449 ' HE ' HH12 ' B' ' 14' ' ' ARG . 10.1 ptt180 -69.47 -27.56 65.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.449 HH12 ' HE ' ' B' ' 13' ' ' ARG . 1.1 tpp180 -70.62 -41.67 71.94 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.89 2.52 38.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.722 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.4 p -148.76 57.42 1.04 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.427 0.632 . . . . 0.0 109.54 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.5 pt -78.32 131.82 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.492 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -123.59 -48.12 1.94 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ptp 33.57 54.81 1.4 Allowed Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 125.049 1.34 . . . . 0.0 113.878 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.628 ' HD2' ' HB2' ' B' ' 24' ' ' ALA . 61.4 Cg_endo -69.25 -177.65 1.8 Allowed 'Trans proline' 0 N--CA 1.513 2.668 0 C-N-CA 122.726 2.284 . . . . 0.0 112.114 179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.29 -39.95 89.7 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.647 0.737 . . . . 0.0 109.45 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -76.05 -6.38 50.84 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.613 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.651 ' HB3' ' HG ' ' B' ' 28' ' ' LEU . . . -57.96 -44.93 87.31 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -167.51 170.83 10.91 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.44 -37.55 86.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 111.979 -2.373 . . . . 0.0 107.481 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -62.81 -36.65 83.87 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.135 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.651 ' HG ' ' HB3' ' B' ' 24' ' ' ALA . 3.7 mm? -60.69 -35.0 75.2 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.27 -36.93 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 118.083 0.401 . . . . 0.0 110.786 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.26 -46.96 87.1 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 124.393 1.058 . . . . 0.0 110.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.96 -49.04 79.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.647 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.2 -50.61 63.26 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.913 0.758 . . . . 0.0 112.926 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.02 -46.27 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 123.81 0.694 . . . . 0.0 110.154 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -64.08 -42.32 97.0 Favored 'General case' 0 C--O 1.219 -0.526 0 O-C-N 123.922 0.764 . . . . 0.0 110.787 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 62.7 t80 -56.76 -46.58 81.35 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.539 0.525 . . . . 0.0 111.017 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.75 -52.22 58.2 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.928 0.767 . . . . 0.0 110.118 179.131 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 69.5 mt -58.08 -43.59 87.12 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.675 0.609 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.64 -42.09 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 124.245 0.965 . . . . 0.0 108.662 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 34.1 mt -61.34 -41.64 97.38 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.806 HD11 ' SG ' ' A' ' 41' ' ' CYS . 11.1 mm -64.8 -43.48 96.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.44 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 84.3 m -56.21 -45.37 79.91 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.387 0.613 . . . . 0.0 109.985 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -65.75 -36.2 82.9 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.418 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.03 -30.36 61.05 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.126 0.891 . . . . 0.0 111.829 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG22 ' B' ' 40' ' ' ILE . 5.5 mp -68.08 -39.27 82.95 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.424 ' O ' HG23 ' B' ' 49' ' ' VAL . 79.5 mt -63.01 -42.75 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.25 -37.39 87.04 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 123.645 0.59 . . . . 0.0 109.942 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 44' ' ' LEU . 41.7 mt -63.86 -43.12 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.418 HD12 ' HG3' ' C' ' 50' ' ' MET . 25.3 mm -64.08 -42.83 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.9 t -62.11 -42.65 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.1 mmm -61.22 -55.93 26.43 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 53.1 tp -50.14 -41.09 48.2 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.216 0.948 . . . . 0.0 110.272 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.343 177.863 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.74 -38.21 90.25 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.56 -42.51 95.63 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.383 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.85 -44.23 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.957 0.786 . . . . 0.0 109.118 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.08 -44.43 94.77 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.098 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.23 -40.57 97.82 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 124.021 0.826 . . . . 0.0 109.228 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.424 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -61.62 -41.76 97.92 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m -62.35 -46.21 89.71 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.61 -41.96 99.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.091 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 70.1 m -65.56 -38.72 90.37 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.976 0.798 . . . . 0.0 110.272 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.6 92.61 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.21 -42.56 94.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.461 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.4 ttp180 -60.0 -40.9 90.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.487 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.461 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -70.04 -41.34 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.673 178.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.55 4.46 21.29 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.95 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -148.31 56.69 1.06 Allowed 'General case' 0 C--O 1.244 0.771 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 pt -77.56 131.64 34.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.788 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -123.38 -48.22 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptp 34.02 54.98 1.59 Allowed Pre-proline 0 CA--C 1.564 1.49 0 C-N-CA 125.067 1.347 . . . . 0.0 113.868 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.65 ' HD2' ' HB2' ' C' ' 24' ' ' ALA . 60.3 Cg_endo -69.57 -177.36 1.78 Allowed 'Trans proline' 0 N--CA 1.514 2.72 0 C-N-CA 122.732 2.288 . . . . 0.0 111.93 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.55 -40.56 89.12 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -74.54 -7.63 53.71 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.522 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.684 ' HB3' ' HG ' ' C' ' 28' ' ' LEU . . . -57.42 -45.44 84.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -166.32 171.88 11.63 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.84 -37.27 86.77 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.297 -2.229 . . . . 0.0 107.146 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -63.25 -36.75 84.68 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.559 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.684 ' HG ' ' HB3' ' C' ' 24' ' ' ALA . 3.8 mm? -61.14 -34.62 75.3 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.518 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.97 -37.73 77.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 123.134 0.271 . . . . 0.0 110.586 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.69 -46.36 89.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.722 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 46.6 tp -59.03 -49.53 77.56 Favored 'General case' 0 CA--C 1.524 -0.056 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.664 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.59 -50.36 65.38 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.6 -45.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.16 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.34 -41.96 96.5 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 124.032 0.833 . . . . 0.0 110.309 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 59.1 t80 -56.83 -47.04 81.22 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.636 0.585 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.818 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -48.79 71.92 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.612 0.57 . . . . 0.0 110.3 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.34 -42.57 95.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.945 0.778 . . . . 0.0 110.583 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.89 -42.79 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.533 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 31.3 mt -63.18 -42.03 99.29 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 72.3 m -57.38 -45.51 84.39 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.69 -36.65 84.95 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 124.287 0.992 . . . . 0.0 110.043 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -74.03 -29.78 62.1 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.99 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.49 HD23 HD11 ' D' ' 47' ' ' ILE . 4.7 mp -67.38 -39.46 85.63 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.407 ' O ' HG23 ' C' ' 49' ' ' VAL . 80.0 mt -63.48 -42.77 97.38 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.65 -37.69 88.27 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.627 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.403 HG12 HD11 ' B' ' 48' ' ' ILE . 48.5 mt -63.45 -42.21 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.583 HD11 HG12 ' D' ' 47' ' ' ILE . 22.8 mm -64.64 -42.66 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 45' ' ' ILE . 52.9 t -62.64 -42.92 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.418 ' HG3' HD12 ' B' ' 48' ' ' ILE . 71.3 mmm -65.08 -37.85 88.85 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.004 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.57 -41.87 96.02 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.398 178.093 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.09 -38.23 90.07 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.03 -42.06 94.7 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.188 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -44.13 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 124.04 0.837 . . . . 0.0 109.074 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -58.91 -46.18 88.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.203 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -62.64 -40.38 96.82 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.369 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.459 HD13 ' O ' ' D' ' 7' ' ' LEU . 0.6 OUTLIER -61.57 -42.23 98.54 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -62.79 -46.18 89.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.45 -42.04 99.17 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.987 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 66.6 m -65.6 -38.75 90.37 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 124.166 0.916 . . . . 0.0 110.178 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.77 93.83 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.25 -42.57 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.45 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.3 ttp180 -60.0 -40.84 90.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.417 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.45 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -70.01 -41.32 74.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.632 178.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.58 4.53 21.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.91 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -148.14 56.51 1.06 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 pt -77.6 131.74 34.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.816 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -123.64 -47.99 1.94 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptp 33.65 55.24 1.48 Allowed Pre-proline 0 CA--C 1.563 1.47 0 C-N-CA 125.087 1.355 . . . . 0.0 113.952 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.632 ' HD2' ' HB2' ' D' ' 24' ' ' ALA . 60.1 Cg_endo -69.23 -176.79 1.45 Allowed 'Trans proline' 0 N--CA 1.514 2.729 0 C-N-CA 122.699 2.266 . . . . 0.0 112.026 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.13 -39.93 86.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.466 0.65 . . . . 0.0 109.385 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -75.63 -6.78 52.1 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.844 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.694 ' HB3' ' HG ' ' D' ' 28' ' ' LEU . . . -57.8 -44.96 86.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -166.97 171.19 11.39 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.226 1.488 . . . . 0.0 114.098 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.74 -36.55 84.23 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 111.835 -2.439 . . . . 0.0 107.185 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -63.25 -37.21 86.37 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 114.057 -1.429 . . . . 0.0 111.577 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.694 ' HG ' ' HB3' ' D' ' 24' ' ' ALA . 3.6 mm? -60.29 -35.07 74.73 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.816 0.697 . . . . 0.0 110.757 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -58.02 -38.14 75.64 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 123.308 0.38 . . . . 0.0 110.949 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.46 -46.29 89.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.104 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.85 -48.8 80.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.744 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.04 -50.72 63.22 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.27 -45.84 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.176 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -64.91 -41.6 95.44 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 123.78 0.675 . . . . 0.0 110.17 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 58.4 t80 -56.82 -46.74 81.46 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.829 0.705 . . . . 0.0 111.177 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.721 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.7 OUTLIER -65.29 -50.01 67.33 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 123.515 0.509 . . . . 0.0 110.076 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' SG ' ' E' ' 36' ' ' CYS . 67.5 mt -59.4 -41.7 90.05 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.424 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.64 -42.05 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 29.7 mt -62.66 -41.96 99.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.439 HD12 HD13 ' C' ' 44' ' ' LEU . 26.1 mm -63.37 -43.47 98.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 76.3 m -59.1 -44.93 91.98 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.7 -38.92 92.63 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.469 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.95 -51.63 56.77 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.308 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' D' ' 47' ' ' ILE . 5.0 mp -52.01 -38.56 57.26 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.259 0.936 . . . . 0.0 110.523 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.42 ' O ' HG23 ' D' ' 49' ' ' VAL . 75.5 mt -63.53 -43.75 98.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.9 m -65.54 -34.78 79.06 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.003 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' D' ' 44' ' ' LEU . 69.0 mt -64.07 -42.32 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.568 HD11 HG12 ' E' ' 47' ' ' ILE . 23.5 mm -64.61 -42.3 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.42 HG23 ' O ' ' D' ' 45' ' ' ILE . 63.9 t -62.47 -42.71 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 70.5 mmm -64.55 -38.64 91.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.919 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.41 -41.59 96.54 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.338 178.125 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.61 -38.25 90.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.9 -42.36 94.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.337 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 124.071 0.857 . . . . 0.0 109.115 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.67 -44.06 96.94 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.085 0.865 . . . . 0.0 109.172 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -63.25 -40.42 97.38 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.213 0.946 . . . . 0.0 109.173 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.456 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.6 OUTLIER -61.45 -42.0 98.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.887 0.742 . . . . 0.0 109.165 179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -62.58 -46.23 89.29 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -62.59 -41.97 99.29 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.249 0.968 . . . . 0.0 109.91 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -65.78 -38.52 89.24 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.067 0.855 . . . . 0.0 110.231 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.77 92.9 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -42.75 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 124.187 0.929 . . . . 0.0 108.604 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.463 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.3 ttp180 -59.9 -40.97 90.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.417 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.463 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -70.14 -41.48 73.84 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.604 178.517 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.14 4.75 18.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.928 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -144.91 55.63 1.24 Allowed 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 48.5 pt -77.06 131.68 34.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.805 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -123.81 -48.22 1.91 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.189 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.0 ptp 33.7 55.21 1.5 Allowed Pre-proline 0 CA--C 1.563 1.456 0 C-N-CA 124.948 1.299 . . . . 0.0 113.993 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.632 ' HD2' ' HB2' ' E' ' 24' ' ' ALA . 62.7 Cg_endo -69.76 -177.03 1.69 Allowed 'Trans proline' 0 N--CA 1.511 2.526 0 C-N-CA 122.597 2.198 . . . . 0.0 112.115 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.45 -40.18 89.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.398 0.618 . . . . 0.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -75.8 -5.93 48.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.021 -1.445 . . . . 0.0 112.895 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.678 ' HB3' ' HG ' ' E' ' 28' ' ' LEU . . . -57.86 -45.43 86.32 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -167.81 170.76 10.52 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -61.83 -37.63 85.17 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 112.197 -2.274 . . . . 0.0 107.239 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -64.05 -35.5 80.93 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.345 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.678 ' HG ' ' HB3' ' E' ' 24' ' ' ALA . 3.8 mm? -60.89 -35.36 76.44 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.01 0.819 . . . . 0.0 110.466 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.7 -37.41 76.03 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 117.887 0.312 . . . . 0.0 110.522 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.13 -46.71 87.63 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.039 0.837 . . . . 0.0 110.057 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 tp -59.41 -48.62 80.92 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.52 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.12 -50.53 63.68 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.37 -45.8 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.77 -42.06 97.87 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.764 0.665 . . . . 0.0 110.248 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 64.9 t80 -57.55 -47.19 82.71 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.573 0.546 . . . . 0.0 110.504 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.724 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.6 OUTLIER -63.76 -53.02 57.6 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' E' ' 40' ' ' ILE . 69.2 mt -52.41 -72.02 0.06 Allowed 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.6 mt -34.42 -43.95 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.78 0 O-C-N 124.614 1.196 . . . . 0.0 110.701 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 30.4 mt -63.6 -44.71 93.19 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 177.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' D' ' 41' ' ' CYS . 24.9 mm -63.03 -43.07 98.83 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 m -57.59 -45.56 85.12 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.68 -36.78 85.39 Favored 'General case' 0 C--O 1.242 0.672 0 O-C-N 124.723 1.264 . . . . 0.0 109.431 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.2 -52.34 48.93 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.072 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' E' ' 47' ' ' ILE . 5.5 mp -50.82 -38.83 51.03 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.679 0.672 . . . . 0.0 109.899 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.444 ' O ' HG23 ' E' ' 49' ' ' VAL . 81.4 mt -64.09 -44.03 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.3 -34.96 79.57 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 123.433 0.458 . . . . 0.0 110.097 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' E' ' 44' ' ' LEU . 69.3 mt -64.28 -42.46 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.456 HD12 ' HG3' ' A' ' 50' ' ' MET . 22.6 mm -64.66 -42.27 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' E' ' 45' ' ' ILE . 57.1 t -61.78 -42.21 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 66.7 mmm -61.04 -56.76 17.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 54.1 tp -49.68 -39.98 38.51 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.202 0.939 . . . . 0.0 110.34 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.931 178.258 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.7 -38.21 74.82 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.01 -41.24 95.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.842 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.73 -44.99 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.88 -40.06 91.25 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.347 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.83 -40.38 92.58 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -61.95 -43.13 99.49 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 123.964 0.79 . . . . 0.0 108.924 179.005 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -62.79 -46.13 89.42 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.377 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.8 -41.28 99.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.201 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.3 m -63.58 -40.4 96.86 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.811 0.694 . . . . 0.0 110.262 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.32 93.76 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.784 0.678 . . . . 0.0 109.594 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.82 -42.64 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 124.08 0.863 . . . . 0.0 109.018 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' A' ' 14' ' ' ARG . 49.9 ttp180 -60.06 -43.01 95.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -68.04 -43.62 78.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.501 178.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.53 112.08 1.67 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.148 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -50.92 116.14 1.84 Allowed 'General case' 0 C--O 1.237 0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.819 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.1 pt -74.05 -165.26 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.797 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -77.66 106.49 9.5 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 mtt 59.28 68.44 1.59 Allowed Pre-proline 0 CA--C 1.556 1.201 0 O-C-N 123.888 0.742 . . . . 0.0 109.853 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.26 148.41 55.46 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.567 2.178 . . . . 0.0 112.23 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.26 -25.93 67.11 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.911 0.757 . . . . 0.0 108.995 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.12 -47.47 83.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.7 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.48 84.2 2.09 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.972 1.42 . . . . 0.0 108.592 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 HH11 ' ND2' ' E' ' 30' ' ' ASN . 8.2 tmm_? -88.08 -74.93 0.44 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.987 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG2' HD21 ' E' ' 30' ' ' ASN . 2.4 mt-30 -52.0 -39.27 59.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 123.819 0.699 . . . . 0.0 110.363 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.87 -46.58 90.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 109.665 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.68 -42.17 99.49 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -36.17 83.16 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.86 0.3 . . . . 0.0 110.309 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.432 HD21 HH11 ' B' ' 25' ' ' ARG . 97.8 m-20 -55.49 -47.09 76.73 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.86 -44.39 96.26 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.496 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.21 -47.72 81.32 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.903 0.752 . . . . 0.0 112.379 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' N ' HD21 ' E' ' 34' ' ' ASN . 70.4 mt -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.496 HD21 ' N ' ' B' ' 33' ' ' ILE . 11.9 m120 -63.42 -44.62 94.08 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.796 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 39' ' ' LEU . 37.7 t80 -60.82 -45.61 93.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.009 0.818 . . . . 0.0 110.652 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -58.95 -53.99 52.15 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' ILE . 44.0 mt -52.31 -73.35 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.6 mt -32.05 -43.72 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 35' ' ' PHE . 29.6 mt -62.17 -44.35 96.8 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 122.092 -0.38 . . . . 0.0 110.483 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.772 HD11 ' SG ' ' E' ' 41' ' ' CYS . 6.1 mm -63.05 -41.77 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 23.8 m -55.81 -49.57 72.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.11 -38.8 92.36 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.757 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD11 HG13 ' E' ' 48' ' ' ILE . 17.1 tp -75.64 -26.28 57.61 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.631 0.582 . . . . 0.0 112.129 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' CD1' HD12 ' B' ' 40' ' ' ILE . 7.6 mt -70.69 -37.39 73.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 49' ' ' VAL . 78.3 mt -62.77 -42.07 94.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.6 m -62.23 -38.81 90.64 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.748 0.655 . . . . 0.0 109.57 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 44' ' ' LEU . 62.4 mt -63.4 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.493 HD11 HG13 ' B' ' 47' ' ' ILE . 19.9 mm -63.15 -43.08 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 123.632 0.582 . . . . 0.0 109.676 177.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 45' ' ' ILE . 54.8 t -61.0 -29.03 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 124.001 0.813 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.2 mmm -63.74 -45.82 88.15 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.74 -40.78 97.57 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.765 0.666 . . . . 0.0 110.344 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.84 0 O-C-N 124.124 0.89 . . . . 0.0 109.807 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -58.37 -38.12 76.62 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.28 -41.28 94.33 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.909 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.51 -45.46 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -65.16 -40.29 94.14 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.506 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.11 -40.41 93.66 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 7' ' ' LEU . 0.5 OUTLIER -62.15 -43.16 99.44 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.79 -46.06 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.272 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.77 -41.6 99.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.086 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.9 m -63.51 -40.41 96.98 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.065 0.853 . . . . 0.0 110.261 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.38 94.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.95 -42.59 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.91 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.492 ' HE ' HH12 ' B' ' 14' ' ' ARG . 50.1 ttp180 -60.18 -42.89 95.95 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.767 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.492 HH12 ' HE ' ' B' ' 13' ' ' ARG . 0.2 OUTLIER -67.9 -43.32 79.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.867 0.729 . . . . 0.0 109.699 178.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.21 113.34 2.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.55 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -52.89 116.99 2.63 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.483 1.115 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 42.0 pt -75.1 -166.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.755 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -76.61 104.13 6.95 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mtt 60.02 69.65 1.18 Allowed Pre-proline 0 CA--C 1.553 1.084 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.734 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.92 148.49 51.63 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.818 2.346 . . . . 0.0 112.596 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.73 -27.1 67.35 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.183 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.24 -45.87 89.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.992 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.66 81.94 1.68 Allowed 'General case' 0 C--N 1.347 0.497 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.769 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.432 HH11 HD21 ' A' ' 30' ' ' ASN . 8.1 tmm_? -87.81 -74.41 0.45 Allowed 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.638 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.411 ' HG2' HD21 ' A' ' 30' ' ' ASN . 2.1 mt-30 -53.05 -38.47 62.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 123.943 0.777 . . . . 0.0 110.51 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.05 -46.9 88.81 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.491 0.495 . . . . 0.0 109.747 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.31 -41.67 98.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -37.16 86.72 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.422 HD21 ' HG2' ' C' ' 26' ' ' GLN . 95.1 m-20 -55.7 -47.28 77.08 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.77 -44.42 96.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 124.675 1.234 . . . . 0.0 110.341 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.94 -48.6 78.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.029 0.831 . . . . 0.0 112.155 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.496 ' N ' HD21 ' A' ' 34' ' ' ASN . 77.9 mt -63.45 -45.42 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 O-C-N 123.629 0.581 . . . . 0.0 109.571 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.477 HD21 ' N ' ' C' ' 33' ' ' ILE . 11.3 m120 -62.89 -44.95 94.73 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.742 0.651 . . . . 0.0 110.144 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' B' ' 39' ' ' LEU . 36.4 t80 -61.66 -47.19 86.47 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 123.981 0.8 . . . . 0.0 110.553 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.877 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 1.3 t -61.66 -37.95 85.94 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 40' ' ' ILE . 33.3 mt -65.96 -72.07 0.17 Allowed 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 175.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -31.92 -41.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 125.078 1.486 . . . . 0.0 110.88 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' B' ' 35' ' ' PHE . 27.1 mt -62.18 -44.89 95.58 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.574 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.763 HD11 ' SG ' ' A' ' 41' ' ' CYS . 3.0 mm -63.54 -41.66 93.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 123.461 0.704 . . . . 0.0 109.127 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 21.9 m -55.18 -49.67 71.31 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.5 -40.42 97.04 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.472 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 43' ' ' LEU . 12.7 tp -73.86 -26.79 60.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.146 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' C' ' 40' ' ' ILE . 8.8 mt -71.15 -37.86 72.22 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.492 ' O ' HG23 ' B' ' 49' ' ' VAL . 76.1 mt -63.05 -41.84 94.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.16 -39.29 92.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.791 0.682 . . . . 0.0 109.673 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 44' ' ' LEU . 60.1 mt -63.22 -43.4 98.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.47 HD11 HG13 ' C' ' 47' ' ' ILE . 19.6 mm -63.76 -43.1 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.6 t -60.74 -30.48 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 123.8 0.687 . . . . 0.0 110.715 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.2 mmm -63.47 -45.26 91.59 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.76 -40.85 97.71 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.821 0.701 . . . . 0.0 110.535 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 117.457 -1.258 . . . . 0.0 109.719 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.26 -37.84 78.63 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.13 -41.17 95.08 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.178 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.65 -45.82 96.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.047 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -64.49 -40.54 95.86 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.526 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.32 -40.42 94.16 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.418 HD13 ' O ' ' C' ' 7' ' ' LEU . 0.5 OUTLIER -62.23 -43.03 99.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -62.66 -46.24 89.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.59 -41.66 99.1 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.27 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.3 m -63.36 -40.43 97.24 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.148 0.905 . . . . 0.0 110.333 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.49 93.45 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.705 0.628 . . . . 0.0 109.834 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.82 -42.69 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.958 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.496 ' HE ' HH12 ' C' ' 14' ' ' ARG . 50.1 ttp180 -59.84 -42.81 94.42 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.496 HH12 ' HE ' ' C' ' 13' ' ' ARG . 0.2 OUTLIER -68.33 -43.42 77.56 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.647 178.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.63 112.82 1.95 Allowed 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.604 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -54.31 117.87 3.64 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 124.361 1.038 . . . . 0.0 110.784 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 pt -76.02 -165.05 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.709 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -77.98 106.27 9.73 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.0 mtt 59.45 68.42 1.56 Allowed Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.817 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -71.43 148.94 55.51 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.789 2.326 . . . . 0.0 112.58 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.35 -28.4 68.63 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.039 0.837 . . . . 0.0 108.88 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -58.79 -45.52 89.68 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.731 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.0 81.83 1.67 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.048 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -88.69 -72.85 0.52 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.706 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.422 ' HG2' HD21 ' B' ' 30' ' ' ASN . 1.7 mt-30 -53.61 -39.07 64.61 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.768 -177.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -61.17 -46.38 90.73 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.355 0.409 . . . . 0.0 110.07 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.78 -42.21 99.6 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -37.72 88.39 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.001 0.188 . . . . 0.0 110.701 177.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . 0.461 HD21 ' HG2' ' D' ' 26' ' ' GLN . 96.2 m-20 -56.25 -46.15 79.74 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.92 -44.31 93.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.444 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -62.63 -48.02 81.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.954 0.784 . . . . 0.0 112.537 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.477 ' N ' HD21 ' B' ' 34' ' ' ASN . 78.3 mt -63.65 -45.27 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.495 HD21 ' N ' ' D' ' 33' ' ' ILE . 10.9 m120 -63.29 -44.28 95.49 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.798 0.686 . . . . 0.0 110.026 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' C' ' 39' ' ' LEU . 37.2 t80 -61.05 -46.2 91.65 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.79 0.681 . . . . 0.0 110.863 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.93 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.6 OUTLIER -59.29 -53.43 58.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.427 ' HB3' ' SG ' ' D' ' 36' ' ' CYS . 44.0 mt -52.37 -73.21 0.04 OUTLIER 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -33.33 -44.01 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.837 0 O-C-N 124.077 0.861 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' C' ' 35' ' ' PHE . 28.4 mt -61.3 -44.2 97.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.81 HD11 ' SG ' ' B' ' 41' ' ' CYS . 4.8 mm -62.99 -42.03 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.0 m -55.92 -48.48 75.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -64.03 -39.9 95.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.838 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.98 -26.72 59.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.908 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' D' ' 40' ' ' ILE . 9.6 mt -70.21 -38.43 75.28 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.501 ' O ' HG23 ' C' ' 49' ' ' VAL . 72.3 mt -63.05 -41.75 94.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.37 -38.48 89.72 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' C' ' 44' ' ' LEU . 58.9 mt -63.45 -43.33 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' D' ' 47' ' ' ILE . 19.7 mm -63.2 -42.99 98.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . 0.501 HG23 ' O ' ' C' ' 45' ' ' ILE . 53.4 t -60.22 -30.43 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.691 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 86.9 mmm -63.63 -45.22 91.25 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.92 -40.53 96.69 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.7 0.625 . . . . 0.0 110.581 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 O-C-N 123.585 0.553 . . . . 0.0 110.062 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.37 -37.9 79.12 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -65.45 -41.22 93.66 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.034 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.016 0.823 . . . . 0.0 109.101 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -64.75 -40.56 95.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.529 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.23 -40.4 93.88 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' D' ' 7' ' ' LEU . 0.4 OUTLIER -62.08 -43.15 99.45 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -62.71 -46.03 90.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.174 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -62.95 -41.2 99.44 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.172 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -63.88 -40.35 96.34 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.003 0.814 . . . . 0.0 110.391 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.35 93.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.51 0.506 . . . . 0.0 109.674 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.75 -42.68 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.979 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.483 ' HE ' HH12 ' D' ' 14' ' ' ARG . 50.1 ttp180 -60.08 -42.87 95.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.751 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.483 HH12 ' HE ' ' D' ' 13' ' ' ARG . 0.2 OUTLIER -68.3 -43.49 77.55 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.98 0.8 . . . . 0.0 109.641 178.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.23 111.53 1.69 Allowed 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.394 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.6 p -51.64 116.78 2.27 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 124.352 1.033 . . . . 0.0 110.79 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.61 -165.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.958 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -77.84 107.44 10.35 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtt 58.54 67.9 1.94 Allowed Pre-proline 0 CA--C 1.557 1.239 0 O-C-N 123.834 0.709 . . . . 0.0 109.884 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.41 148.77 55.29 Favored 'Trans proline' 0 N--CA 1.502 1.983 0 C-N-CA 122.667 2.244 . . . . 0.0 112.328 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.28 -25.64 66.96 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.063 0.852 . . . . 0.0 109.012 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -58.95 -48.12 82.65 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.508 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.07 86.31 2.46 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.919 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.412 ' HD3' HD22 ' C' ' 30' ' ' ASN . 7.4 tmm_? -90.57 -73.81 0.52 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.263 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.461 ' HG2' HD21 ' C' ' 30' ' ' ASN . 1.8 mt-30 -52.43 -39.48 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.736 0.647 . . . . 0.0 110.471 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.403 HD22 ' HD3' ' E' ' 25' ' ' ARG . 11.0 t-20 -60.87 -46.92 88.7 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.272 0.983 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.93 -42.4 99.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.08 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -36.65 84.45 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 122.247 0.219 . . . . 0.0 110.692 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . 0.473 HD21 ' HG2' ' E' ' 26' ' ' GLN . 95.2 m-20 -57.5 -45.65 84.69 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.94 -44.69 92.09 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 124.58 1.175 . . . . 0.0 110.066 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.89 -48.47 78.84 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.963 0.789 . . . . 0.0 111.93 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.495 ' N ' HD21 ' C' ' 34' ' ' ASN . 75.6 mt -63.43 -46.52 95.06 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 O-C-N 123.76 0.662 . . . . 0.0 109.382 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.437 HD21 ' N ' ' E' ' 33' ' ' ILE . 9.5 m120 -61.99 -44.16 97.33 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 124.201 0.938 . . . . 0.0 110.043 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' D' ' 39' ' ' LEU . 35.2 t80 -60.73 -45.32 94.73 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.78 0.675 . . . . 0.0 110.612 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.936 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -59.73 -54.17 49.42 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.576 ' CD1' HG23 ' E' ' 33' ' ' ILE . 16.9 mt -51.31 -72.82 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -34.24 -43.36 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 125.2 1.563 . . . . 0.0 110.933 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' D' ' 35' ' ' PHE . 31.3 mt -62.42 -44.52 96.24 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 177.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.8 HD11 ' SG ' ' C' ' 41' ' ' CYS . 4.6 mm -63.5 -41.03 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 33.5 m -57.93 -47.1 83.86 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.803 0.689 . . . . 0.0 109.48 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.29 -41.35 96.92 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.335 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' D' ' 43' ' ' LEU . 7.5 tp -65.23 -51.01 63.63 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.63 0.581 . . . . 0.0 109.454 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' E' ' 40' ' ' ILE . 10.0 mt -51.46 -37.69 50.09 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.045 0.538 . . . . 0.0 110.196 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.492 ' O ' HG23 ' D' ' 49' ' ' VAL . 69.8 mt -63.57 -42.74 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.26 -37.67 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' D' ' 44' ' ' LEU . 84.5 mt -63.42 -43.05 98.3 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.407 HG13 HD11 ' E' ' 43' ' ' LEU . 3.4 mm -62.97 -43.07 98.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.018 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.492 HG23 ' O ' ' D' ' 45' ' ' ILE . 53.1 t -62.82 -27.88 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 123.974 0.796 . . . . 0.0 111.277 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.28 -45.54 90.99 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -40.69 97.87 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.168 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.99 -38.22 75.69 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.26 -41.06 94.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.843 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.82 -45.16 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 123.904 0.752 . . . . 0.0 109.228 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.36 -40.25 93.35 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 123.929 0.768 . . . . 0.0 109.405 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.01 -40.34 93.19 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.417 HD13 ' O ' ' E' ' 7' ' ' LEU . 0.5 OUTLIER -62.05 -43.21 99.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 m -62.84 -45.97 90.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.334 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -62.86 -41.31 99.33 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.182 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -63.71 -40.32 96.48 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.994 0.809 . . . . 0.0 110.22 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.23 94.56 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.95 -42.73 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.016 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.495 ' HE ' HH12 ' E' ' 14' ' ' ARG . 50.0 ttp180 -60.17 -42.85 95.84 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.714 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.495 HH12 ' HE ' ' E' ' 13' ' ' ARG . 0.2 OUTLIER -68.04 -43.44 78.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.701 178.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.84 112.14 1.6 Allowed 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.422 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 15.3 p -51.17 115.98 1.81 Allowed 'General case' 0 C--O 1.236 0.365 0 O-C-N 124.21 0.944 . . . . 0.0 110.76 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.01 -165.19 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.864 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -77.63 106.62 9.54 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mtt 59.15 68.75 1.52 Allowed Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 123.944 0.777 . . . . 0.0 109.798 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -71.88 148.33 51.56 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.451 2.101 . . . . 0.0 112.334 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.15 -26.01 67.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.208 0.943 . . . . 0.0 109.034 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -58.25 -48.5 80.2 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.461 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.17 85.77 2.33 Favored 'General case' 0 C--O 1.241 0.649 0 O-C-N 124.97 1.419 . . . . 0.0 108.572 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.437 HH11 ' ND2' ' D' ' 30' ' ' ASN . 8.1 tmm_? -90.26 -74.82 0.48 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.63 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.473 ' HG2' HD21 ' D' ' 30' ' ' ASN . 2.1 mt-30 -50.98 -39.79 56.35 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.564 0.346 . . . . 0.0 110.84 -177.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.21 -45.77 92.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.288 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.91 -42.21 97.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.58 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -35.7 81.95 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.924 0.329 . . . . 0.0 110.334 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . 0.459 ' ND2' HH11 ' A' ' 25' ' ' ARG . 98.1 m-20 -57.24 -46.4 83.03 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.52 -44.22 94.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.635 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -62.35 -49.29 76.17 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.958 0.786 . . . . 0.0 112.289 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' D' ' 37' ' ' LEU . 76.8 mt -64.07 -44.74 97.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 123.465 0.478 . . . . 0.0 109.981 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.47 HD21 ' N ' ' A' ' 33' ' ' ILE . 10.3 m120 -61.63 -44.64 96.61 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.874 0.734 . . . . 0.0 109.465 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' E' ' 39' ' ' LEU . 37.1 t80 -60.6 -45.25 94.69 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.81 0.694 . . . . 0.0 110.804 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.929 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -59.81 -55.19 37.26 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 121.27 0.557 . . . . 0.0 109.843 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -56.89 -44.33 82.18 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.2 0.6 . . . . 0.0 110.458 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -58.73 -40.83 80.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.142 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' E' ' 35' ' ' PHE . 30.2 mt -63.86 -40.5 96.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.794 HD11 ' SG ' ' D' ' 41' ' ' CYS . 5.0 mm -64.39 -42.29 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.912 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 57.9 m -57.68 -47.51 82.11 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.37 -43.64 97.03 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.149 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' D' ' 44' ' ' LEU . 11.2 tp -66.46 -50.18 64.19 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.618 ' CD1' HD12 ' A' ' 40' ' ' ILE . 12.4 mt -50.54 -37.17 37.89 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 118.198 0.454 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.515 ' O ' HG23 ' E' ' 49' ' ' VAL . 68.5 mt -63.31 -43.31 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -64.25 -35.56 81.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.587 0.554 . . . . 0.0 109.634 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' E' ' 44' ' ' LEU . 96.7 mt -63.06 -43.65 99.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.484 HD11 HG13 ' A' ' 47' ' ' ILE . 19.5 mm -63.55 -43.0 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.515 HG23 ' O ' ' E' ' 45' ' ' ILE . 77.1 t -60.75 -28.81 43.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -63.21 -46.53 86.59 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.17 -40.98 99.08 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.94 0.775 . . . . 0.0 110.52 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.03 -39.55 93.52 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 123.625 0.578 . . . . 0.0 109.54 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -65.3 -43.31 91.5 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.32 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.2 -46.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.64 -46.27 90.5 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.94 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.37 -41.18 96.66 Favored 'General case' 0 C--O 1.221 -0.44 0 O-C-N 124.02 0.825 . . . . 0.0 109.451 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 7' ' ' LEU . 1.3 tm? -61.33 -45.37 94.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.758 0.661 . . . . 0.0 109.37 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.77 -46.61 87.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.786 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.42 -46.02 91.86 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.0 m -62.78 -41.1 99.09 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.221 0.95 . . . . 0.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.17 76.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.822 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.61 -42.83 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.147 0.904 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -55.61 -45.78 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.488 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -76.79 -48.32 18.95 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.734 0.646 . . . . 0.0 110.04 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 100.31 0.41 Allowed 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.121 0.888 . . . . 0.0 111.918 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 p -43.07 95.53 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.816 1.647 . . . . 0.0 114.813 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.1 mt -140.68 113.06 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.43 21.09 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 108.83 1.31 Allowed Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.415 0.552 . . . . 0.0 109.752 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.67 123.02 10.0 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 121.967 1.778 . . . . 0.0 112.726 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.63 -54.97 17.58 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.893 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -170.38 -72.73 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.046 -1.434 . . . . 0.0 107.235 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.98 0.23 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -95.88 -139.77 0.26 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.687 -1.597 . . . . 0.0 112.339 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -48.65 78.22 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.76 -48.07 82.47 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.632 0.583 . . . . 0.0 109.477 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.61 -36.3 83.79 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 124.777 1.298 . . . . 0.0 110.088 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' N ' HD21 ' E' ' 30' ' ' ASN . 13.9 tt0 -65.84 -39.88 91.23 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.474 HD21 ' N ' ' B' ' 29' ' ' GLN . 3.6 m120 -62.69 -45.09 94.39 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.2 -43.0 99.4 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.179 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -78.77 -60.27 2.45 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.634 HG23 HD11 ' E' ' 37' ' ' LEU . 56.0 mt -62.7 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.522 -175.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.456 HD21 ' N ' ' B' ' 33' ' ' ILE . 32.6 m120 -61.33 -40.37 93.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.272 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 64.8 t80 -56.86 -44.36 82.12 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.202 0.939 . . . . 0.0 109.642 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' E' ' 41' ' ' CYS . 0.5 OUTLIER -67.45 -50.95 56.95 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.379 1.049 . . . . 0.0 110.749 178.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.624 HD11 HG23 ' B' ' 33' ' ' ILE . 52.7 mt -56.36 -45.09 80.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.445 0.465 . . . . 0.0 110.455 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.1 -44.44 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 126.161 2.163 . . . . 0.0 108.289 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 31.8 mt -63.03 -43.1 99.61 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 178.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.582 HD11 ' SG ' ' E' ' 41' ' ' CYS . 1.7 mm -63.18 -42.85 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' B' ' 36' ' ' CYS . 71.3 m -57.47 -47.94 80.52 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.605 0.565 . . . . 0.0 109.489 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 45' ' ' ILE . 55.8 mt -63.0 -39.78 95.8 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.658 1.224 . . . . 0.0 110.874 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' E' ' 44' ' ' LEU . 15.2 tp -75.33 -24.88 57.43 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.586 0.554 . . . . 0.0 111.513 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' B' ' 43' ' ' LEU . 6.1 mt -72.21 -34.78 68.61 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 42' ' ' LEU . 61.5 mt -62.45 -41.38 91.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.19 -40.51 96.29 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.456 HG13 HD11 ' E' ' 48' ' ' ILE . 92.7 mt -64.36 -43.03 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD11 HG13 ' B' ' 47' ' ' ILE . 1.8 mm -61.81 -45.53 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 124.283 0.989 . . . . 0.0 110.223 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.19 -45.98 97.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.2 mmm -66.52 -32.21 73.43 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.086 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.56 -39.23 74.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.009 177.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.96 -39.57 94.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.709 0.631 . . . . 0.0 109.324 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.14 -42.82 93.47 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.336 1.022 . . . . 0.0 109.412 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.53 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.114 0.884 . . . . 0.0 108.755 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.36 -45.69 92.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 124.348 1.03 . . . . 0.0 110.012 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -61.18 -41.12 96.23 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.881 0.738 . . . . 0.0 109.538 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.446 HD13 ' O ' ' B' ' 7' ' ' LEU . 1.3 tm? -61.76 -44.56 96.65 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -62.65 -46.33 88.72 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.805 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -63.01 -43.36 98.99 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.502 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -64.43 -36.79 85.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.952 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.5 57.5 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.95 -45.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.089 0.868 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -60.93 -42.17 97.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.253 0.345 . . . . 0.0 110.537 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -71.76 -46.18 59.25 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 123.63 0.581 . . . . 0.0 109.632 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 97.64 0.75 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.035 0.834 . . . . 0.0 111.228 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -42.51 93.8 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.768 1.627 . . . . 0.0 114.976 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -140.1 112.69 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 20.89 0.05 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 105.34 0.51 Allowed Pre-proline 0 N--CA 1.484 1.241 0 CA-C-N 118.472 0.578 . . . . 0.0 110.736 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' B' ' 28' ' ' LEU . 31.2 Cg_exo -60.17 121.05 9.18 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 122.478 2.118 . . . . 0.0 112.8 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.26 -55.35 10.77 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -170.51 -74.92 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 113.848 -1.524 . . . . 0.0 107.395 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.29 28.52 0.29 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -96.03 -139.45 0.26 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.23 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -48.7 75.42 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 125.182 1.551 . . . . 0.0 114.119 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -59.2 -48.34 81.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.662 0.601 . . . . 0.0 109.522 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' B' ' 21' ' ' PRO . 2.9 mm? -65.66 -34.98 79.47 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.235 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.475 ' HG2' HD12 ' B' ' 33' ' ' ILE . 14.2 tt0 -66.28 -40.06 89.81 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.477 HD21 ' N ' ' C' ' 29' ' ' GLN . 3.6 m120 -62.68 -44.78 95.38 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.79 -42.58 97.7 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.045 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.86 -60.01 2.51 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' LEU . 53.6 mt -62.34 -46.74 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.12 -175.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.42 HD21 ' N ' ' C' ' 33' ' ' ILE . 32.9 m120 -61.31 -40.27 93.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.107 -178.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 67.1 t80 -56.87 -44.41 82.2 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.979 0.8 . . . . 0.0 109.663 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 0.6 OUTLIER -67.77 -51.63 46.76 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.483 178.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' CD1' HG23 ' C' ' 33' ' ' ILE . 46.0 mt -55.88 -43.18 76.95 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.05 -42.46 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.113 1.508 . . . . 0.0 108.574 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 33.0 mt -62.99 -43.71 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 123.62 0.575 . . . . 0.0 109.875 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.536 HD11 ' SG ' ' A' ' 41' ' ' CYS . 2.1 mm -62.59 -43.45 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' C' ' 36' ' ' CYS . 73.7 m -57.54 -48.69 78.62 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' B' ' 45' ' ' ILE . 57.9 mt -62.5 -41.75 99.03 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 124.64 1.212 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 44' ' ' LEU . 12.4 tp -65.95 -49.79 66.65 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.484 HD13 HG23 ' C' ' 40' ' ' ILE . 4.4 mt -51.99 -34.33 42.13 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.012 0.369 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' B' ' 42' ' ' LEU . 60.1 mt -62.88 -42.56 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.16 -37.97 89.37 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.504 HG13 HD11 ' A' ' 48' ' ' ILE . 81.4 mt -63.72 -43.92 98.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.455 HD11 HG13 ' C' ' 47' ' ' ILE . 1.7 mm -61.73 -44.79 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 124.16 0.912 . . . . 0.0 110.346 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.32 -45.02 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 82.2 mmm -66.88 -32.31 73.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.923 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.78 -40.31 84.01 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 CA--C 1.542 0.651 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.039 177.712 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.58 -38.46 89.58 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.71 -43.04 90.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.195 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -44.79 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -61.26 -48.38 81.68 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.96 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.33 -40.25 89.96 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 124.185 0.928 . . . . 0.0 109.996 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.43 HD13 ' O ' ' C' ' 7' ' ' LEU . 1.2 tm? -62.17 -45.91 91.3 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.718 0.637 . . . . 0.0 109.316 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -63.16 -46.98 84.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -61.54 -44.69 96.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.464 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t -62.38 -42.84 99.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.127 0.892 . . . . 0.0 110.638 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.85 78.03 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.96 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.75 -42.95 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.042 0.839 . . . . 0.0 110.111 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -55.85 -43.85 77.47 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.257 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -76.61 -64.91 1.01 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 103.67 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.357 1.035 . . . . 0.0 112.825 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 36.1 p -42.34 94.53 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.882 1.673 . . . . 0.0 115.118 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -140.49 111.89 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 19.15 0.05 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.83 105.52 0.54 Allowed Pre-proline 0 N--CA 1.479 0.993 0 CA-C-N 118.481 0.582 . . . . 0.0 111.122 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' C' ' 28' ' ' LEU . 32.0 Cg_exo -59.54 122.24 11.16 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.213 1.942 . . . . 0.0 113.278 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -70.48 -55.59 8.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.401 ' H ' HD23 ' C' ' 28' ' ' LEU . 55.0 tt0 -169.94 -75.7 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.732 -1.576 . . . . 0.0 107.011 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.56 29.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -97.88 -140.9 0.3 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.444 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -48.56 74.76 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -175.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.18 -48.23 80.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.15 0.5 . . . . 0.0 109.98 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' C' ' 21' ' ' PRO . 2.9 mm? -66.45 -34.27 77.55 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.477 ' N ' HD21 ' B' ' 30' ' ' ASN . 11.4 tt0 -67.27 -39.7 86.08 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . 0.474 HD21 ' N ' ' D' ' 29' ' ' GLN . 3.6 m120 -62.24 -44.41 96.61 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.07 -42.2 97.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.858 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -80.04 -59.44 2.72 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.584 HG23 ' CD1' ' B' ' 37' ' ' LEU . 52.5 mt -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 118.82 -0.61 . . . . 0.0 112.299 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.444 HD21 ' N ' ' D' ' 33' ' ' ILE . 32.6 m120 -60.88 -40.36 92.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.992 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 71.8 t80 -57.57 -44.14 85.09 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.705 0.628 . . . . 0.0 109.393 177.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' B' ' 41' ' ' CYS . 0.5 OUTLIER -65.05 -57.35 8.89 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 123.664 0.602 . . . . 0.0 109.813 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.686 HD11 HG23 ' D' ' 33' ' ' ILE . 37.9 mt -46.55 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -32.76 -46.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 124.962 1.414 . . . . 0.0 110.456 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 33.2 mt -63.87 -44.72 92.23 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 120.536 0.207 . . . . 0.0 111.384 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.529 HD11 ' SG ' ' B' ' 41' ' ' CYS . 2.6 mm -61.08 -43.27 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' D' ' 36' ' ' CYS . 25.1 m -56.8 -47.84 79.31 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.018 0.824 . . . . 0.0 109.309 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' C' ' 45' ' ' ILE . 51.9 mt -64.57 -37.68 88.39 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.697 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.13 -26.64 56.55 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.415 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.697 ' CD1' HD12 ' D' ' 40' ' ' ILE . 6.4 mt -69.75 -36.18 75.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' C' ' 42' ' ' LEU . 65.3 mt -61.78 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.7 -41.07 97.11 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.455 HG13 HD11 ' B' ' 48' ' ' ILE . 60.0 mt -65.63 -41.96 91.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.471 HD11 HG13 ' D' ' 47' ' ' ILE . 1.9 mm -60.77 -45.44 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 123.766 0.667 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.29 -45.86 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 76.0 mmm -65.91 -33.23 75.36 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 124.3 1.0 . . . . 0.0 111.32 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 41.5 tp -70.69 -38.74 73.71 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.544 0.75 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 177.422 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtp . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.32 -37.63 85.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -65.17 -42.83 93.32 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.324 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.42 -45.07 99.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.335 1.022 . . . . 0.0 108.507 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.13 -46.27 89.78 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 124.401 1.063 . . . . 0.0 109.884 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.24 -41.19 96.45 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 123.787 0.679 . . . . 0.0 109.743 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.441 HD13 ' O ' ' D' ' 7' ' ' LEU . 1.3 tm? -61.42 -45.28 94.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.7 0.625 . . . . 0.0 109.319 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.82 -46.7 86.74 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -61.35 -45.92 92.38 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.357 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m -62.7 -41.08 98.94 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 124.148 0.905 . . . . 0.0 111.182 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.78 77.95 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.789 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.77 -42.75 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 124.111 0.882 . . . . 0.0 110.139 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.6 -45.92 77.37 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.254 0.971 . . . . 0.0 110.529 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -76.72 -48.5 18.63 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 123.666 0.604 . . . . 0.0 110.205 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.53 100.92 0.4 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.898 0.749 . . . . 0.0 111.954 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -42.71 95.08 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.897 1.679 . . . . 0.0 114.933 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 85.2 mt -140.11 113.0 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 20.89 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 108.81 1.32 Allowed Pre-proline 0 N--CA 1.479 1.02 0 CA-C-N 118.52 0.6 . . . . 0.0 109.672 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -68.45 123.35 10.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.074 1.849 . . . . 0.0 112.749 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.4 -55.17 17.06 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 124.361 1.038 . . . . 0.0 108.816 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . 0.407 ' H ' HD23 ' D' ' 28' ' ' LEU . 53.9 tt0 -170.44 -72.3 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 107.404 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.7 27.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 62.5 mmt-85 -96.62 -140.28 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.033 -1.44 . . . . 0.0 112.226 -176.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -49.95 70.41 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 125.204 1.565 . . . . 0.0 114.005 -176.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.76 -47.31 85.1 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' D' ' 28' ' ' LEU . 3.0 mm? -66.4 -33.69 76.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.047 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.521 ' HG2' HD12 ' D' ' 33' ' ' ILE . 14.9 tt0 -68.16 -39.69 82.52 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . 0.469 HD21 ' N ' ' E' ' 29' ' ' GLN . 3.6 m120 -62.07 -44.55 96.43 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.07 -42.62 96.93 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.258 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -80.23 -59.86 2.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.686 HG23 HD11 ' C' ' 37' ' ' LEU . 57.0 mt -62.66 -46.22 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.292 -175.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.445 HD21 ' N ' ' E' ' 33' ' ' ILE . 33.2 m120 -61.21 -41.1 96.24 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.555 0.616 . . . . 0.0 110.24 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.73 -43.84 81.06 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.829 0.705 . . . . 0.0 109.617 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.889 ' SG ' ' SG ' ' C' ' 41' ' ' CYS . 0.5 OUTLIER -67.0 -53.23 33.44 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.634 0.584 . . . . 0.0 110.587 178.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.545 HD11 HG23 ' E' ' 33' ' ' ILE . 40.6 mt -55.26 -46.04 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.53 -42.96 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 125.27 1.607 . . . . 0.0 108.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -63.02 -42.5 99.82 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 123.549 0.531 . . . . 0.0 110.007 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' C' ' 41' ' ' CYS . 28.0 mm -64.68 -42.57 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' E' ' 36' ' ' CYS . 77.8 m -56.51 -47.85 78.47 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 45' ' ' ILE . 58.9 mt -63.69 -40.05 95.82 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.426 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' C' ' 44' ' ' LEU . 15.7 tp -75.8 -25.36 56.3 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.492 0.495 . . . . 0.0 111.467 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.501 ' CD1' HG23 ' E' ' 40' ' ' ILE . 5.4 mt -71.61 -34.65 70.04 Favored 'General case' 0 C--N 1.347 0.492 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' D' ' 42' ' ' LEU . 61.7 mt -62.01 -41.13 89.84 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.75 -41.11 99.04 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.471 HG13 HD11 ' C' ' 48' ' ' ILE . 93.5 mt -64.21 -43.03 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.444 HD11 HG13 ' E' ' 47' ' ' ILE . 1.9 mm -61.9 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 123.965 0.791 . . . . 0.0 110.176 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.61 -45.65 96.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.673 0.608 . . . . 0.0 109.453 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.94 -32.62 74.23 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 124.3 1.0 . . . . 0.0 111.417 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.0 -39.21 72.56 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.214 -0.766 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.88 177.838 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.32 -39.29 92.27 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.37 -43.36 91.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.401 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.41 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 O-C-N 124.297 0.998 . . . . 0.0 108.35 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -46.01 91.46 Favored 'General case' 0 C--N 1.344 0.358 0 O-C-N 124.483 1.114 . . . . 0.0 109.86 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.28 -41.31 96.73 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 124.094 0.872 . . . . 0.0 109.616 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.441 HD13 ' O ' ' E' ' 7' ' ' LEU . 1.3 tm? -61.58 -45.26 94.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.92 -46.51 87.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.729 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -61.74 -45.34 94.33 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.346 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -63.05 -41.22 99.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 124.212 0.945 . . . . 0.0 111.069 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.87 77.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.745 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.78 -42.75 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.141 0.901 . . . . 0.0 109.934 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -55.46 -44.01 76.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.183 0.927 . . . . 0.0 110.026 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -76.84 -66.1 0.86 Allowed 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.51 103.12 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.312 1.008 . . . . 0.0 112.915 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -42.16 95.18 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.9 1.68 . . . . 0.0 115.142 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 85.9 mt -141.3 111.41 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.05 21.24 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.99 105.5 0.54 Allowed Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 118.641 0.655 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.467 ' HB3' HD11 ' E' ' 28' ' ' LEU . 32.2 Cg_exo -59.8 122.93 12.23 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 121.962 1.775 . . . . 0.0 113.211 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.62 -56.24 6.94 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -170.26 -73.45 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.723 -1.58 . . . . 0.0 107.109 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.54 28.47 0.23 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 65.0 mmt-85 -96.02 -140.55 0.26 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.506 -1.224 . . . . 0.0 112.811 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -48.7 74.31 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 124.901 1.376 . . . . 0.0 114.09 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.25 -49.42 77.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' E' ' 21' ' ' PRO . 2.9 mm? -64.16 -37.32 87.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.272 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.469 ' N ' HD21 ' D' ' 30' ' ' ASN . 12.9 tt0 -65.4 -39.46 92.21 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 123.051 0.219 . . . . 0.0 110.422 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 29' ' ' GLN . 3.5 m120 -62.52 -44.54 96.11 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.97 -42.49 97.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.707 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -79.54 -59.31 2.8 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' D' ' 37' ' ' LEU . 58.9 mt -64.11 -45.38 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.839 -175.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 33' ' ' ILE . 32.7 m120 -61.02 -40.52 93.89 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.664 0.665 . . . . 0.0 109.885 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 70.7 t80 -57.97 -44.27 86.97 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.869 0.731 . . . . 0.0 109.247 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.886 ' SG ' ' SG ' ' D' ' 41' ' ' CYS . 0.5 OUTLIER -65.86 -55.33 17.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 118.177 -0.915 . . . . 0.0 109.713 178.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 33' ' ' ILE . 36.9 mt -47.75 -73.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -32.97 -46.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 125.637 1.836 . . . . 0.0 110.116 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 34.1 mt -64.38 -44.29 91.81 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 122.438 -0.164 . . . . 0.0 110.849 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.544 HD11 ' SG ' ' D' ' 41' ' ' CYS . 2.0 mm -61.66 -43.65 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 50.1 m -57.04 -46.95 82.03 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 123.617 0.573 . . . . 0.0 109.544 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' E' ' 45' ' ' ILE . 53.2 mt -64.15 -39.1 93.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.323 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' D' ' 44' ' ' LEU . 14.9 tp -74.64 -25.03 58.94 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.525 0.516 . . . . 0.0 111.456 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.444 ' CD1' HD13 ' A' ' 40' ' ' ILE . 4.2 mt -72.05 -34.76 69.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' E' ' 42' ' ' LEU . 64.1 mt -62.19 -41.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.45 -40.68 97.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.444 HG13 HD11 ' D' ' 48' ' ' ILE . 93.6 mt -64.63 -42.73 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.456 HD11 HG13 ' A' ' 47' ' ' ILE . 1.9 mm -61.57 -45.85 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.661 0.784 . . . . 0.0 110.046 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.55 -45.82 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 123.901 0.75 . . . . 0.0 109.412 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 79.6 mmm -66.22 -31.96 73.09 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.293 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 tp -71.14 -39.25 72.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.54 0.563 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.765 177.914 . . . . . . . . 0 0 . 1 stop_ save_