data_6z0h_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6z0h _Structure_validation_residue.Date_analyzed 2020-09-11 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 ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -59.82 -34.93 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.588 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.23 -33.65 72.56 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.075 173.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.39 83.06 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.852 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.21 83.84 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.679 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -59.73 -37.14 78.11 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.917 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.84 86.62 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.614 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.81 -35.13 74.05 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.916 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -59.56 -32.07 70.01 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.347 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.91 87.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.535 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.722 173.434 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -34.31 55.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.788 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.06 -32.89 71.36 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.076 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.98 79.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.713 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.09 82.39 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.68 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -59.4 -36.09 75.19 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.953 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.62 80.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.667 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.77 -34.76 73.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.982 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -59.32 -32.07 69.73 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.144 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.65 87.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.822 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.38 174.376 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.924 0.393 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.54 -34.72 55.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.843 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.18 -33.52 72.32 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.109 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.72 83.64 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.828 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.52 84.09 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.621 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 t -59.61 -36.07 75.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.022 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.41 80.98 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.66 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -36.85 77.05 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.534 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.0 -32.02 70.47 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.215 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.88 79.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.048 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.484 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.648 0.261 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.67 -35.4 59.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.701 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -34.11 73.35 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.146 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.27 86.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.898 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.28 84.55 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.732 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -59.69 -37.5 79.0 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.007 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.54 94.56 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.574 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.05 -36.62 77.72 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.999 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.1 -31.97 70.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.58 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.82 92.27 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.637 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.435 174.81 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.08 -35.36 60.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.86 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.5 -31.29 70.35 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.156 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.75 77.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.751 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.67 83.29 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.564 175.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -59.41 -34.68 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.888 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.61 77.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.721 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.1 mt -59.55 -34.58 72.86 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.936 -0.705 . . . . 0.0 110.88 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.22 -32.1 69.64 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.207 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -35.68 77.45 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.756 173.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.291 173.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.76 -35.36 59.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.551 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.49 -32.89 71.86 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.918 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.08 80.97 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.698 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.81 84.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.767 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 p -60.43 -34.15 73.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.893 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.49 90.36 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.6 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.33 -36.19 77.4 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.906 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -59.98 -31.31 69.78 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 119.904 -0.718 . . . . 0.0 111.438 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.23 81.32 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.574 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.373 173.216 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.407 0.146 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.83 -31.25 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.217 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.37 -34.57 74.07 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.085 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.32 86.81 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.09 90.36 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.646 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -60.77 -34.78 74.98 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.029 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.18 89.14 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.727 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.25 -36.72 78.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.782 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -60.13 -31.49 70.11 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.447 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.24 82.4 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.804 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.405 174.598 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.587 0.232 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.72 -31.27 46.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.959 -0.697 . . . . 0.0 111.371 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.19 -35.0 74.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.093 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.51 89.32 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.89 83.31 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.8 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.97 -37.3 79.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.128 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.31 93.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.578 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.16 -36.53 77.76 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.991 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -60.35 -31.15 70.04 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.477 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.21 84.53 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.563 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.391 172.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.77 -33.88 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.916 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.15 -33.03 71.61 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.204 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.68 85.9 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.456 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 t -59.82 -35.28 74.39 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.139 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.27 86.59 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.384 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.35 -34.87 72.91 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.55 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -31.32 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.207 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.66 82.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.24 171.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.04 -31.32 47.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.211 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.39 -35.12 75.01 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.057 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.57 89.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.95 0.405 . . . . 0.0 111.006 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.21 88.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.826 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -59.93 -37.87 80.72 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.0 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.18 92.72 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.537 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.77 -36.07 75.93 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.924 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -59.59 -32.51 70.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.322 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.73 94.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.95 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.631 177.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.421 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.32 -30.59 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.28 -34.46 73.78 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.321 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.32 94.72 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.589 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.56 88.44 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.985 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 p -61.18 -34.54 75.22 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.336 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.4 92.84 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.296 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.27 -34.63 74.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.02 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -59.34 -31.41 69.16 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.262 173.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.49 80.77 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.587 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.131 173.239 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.68 -33.74 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.859 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.8 -33.92 72.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.863 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.33 81.95 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.639 173.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -37.27 80.25 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.869 176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -59.69 -37.08 77.84 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.896 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.57 89.29 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.364 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.77 -34.9 73.59 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.985 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.5 -32.19 70.06 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.392 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.34 90.13 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.749 173.827 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.6 tt -60.38 -30.85 47.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.333 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -33.93 73.15 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.28 82.19 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.662 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.54 80.75 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.682 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -36.25 76.14 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.971 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.96 85.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.441 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.7 -35.37 74.37 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.762 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -59.56 -31.52 69.51 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.365 173.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.25 84.51 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.511 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 172.198 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.318 0 CA-C-O 121.07 0.462 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.78 -33.84 53.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.752 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.23 -33.72 72.66 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.212 176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.79 91.75 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.507 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.87 92.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.865 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.354 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.94 95.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.337 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.91 -36.73 77.62 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.999 -0.681 . . . . 0.0 110.78 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -59.91 -31.71 70.08 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.511 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.93 93.05 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.892 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.349 176.138 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.553 0.216 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.76 -35.64 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -35.07 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.2 173.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.87 91.96 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.014 175.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.02 89.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.8 t -60.27 -39.05 85.45 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.913 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.09 93.41 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.562 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.7 -35.26 74.14 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.01 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -59.54 -32.96 70.8 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.352 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.41 95.18 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.462 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.831 174.639 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.89 -33.23 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.743 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.79 -33.19 71.4 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.76 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.16 80.14 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.509 172.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.1 83.81 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.903 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 p -60.58 -34.48 74.25 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.95 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.17 87.41 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.433 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.98 -36.55 77.4 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.998 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.18 -31.06 69.77 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.437 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.56 82.03 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.581 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 172.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.297 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.2 tt -60.67 -30.43 46.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.424 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -33.8 72.32 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.771 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.67 76.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.96 0.41 . . . . 0.0 110.76 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.59 77.07 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.669 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.15 -36.58 75.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.696 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.94 82.39 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.508 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.65 -34.45 72.84 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.038 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -59.12 -32.24 69.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.102 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.06 83.56 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.411 172.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.77 172.548 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.553 0.216 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.85 -35.88 63.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.797 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.92 -32.84 72.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.857 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.08 75.68 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.731 172.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.15 78.86 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.644 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -59.44 -36.94 76.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.494 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.47 81.98 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.0 tp -59.71 -34.8 73.38 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.953 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -59.22 -32.53 70.05 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.118 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.92 84.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.498 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.619 174.044 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.777 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.04 -33.86 72.61 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.082 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.48 86.54 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.541 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.32 81.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m -59.76 -36.64 77.07 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.102 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.87 90.11 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.358 175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.71 -35.24 74.12 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.905 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -59.57 -31.97 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.318 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.49 86.4 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.531 174.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 173.337 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.396 0 CA-C-O 120.52 0.2 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.28 -31.65 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.25 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.38 -34.79 74.4 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.326 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.09 90.83 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.768 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.16 88.58 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.797 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.12 -37.03 78.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.263 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.21 96.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.455 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -36.38 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.976 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -60.35 -31.35 70.24 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.576 173.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.84 87.63 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.516 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.454 173.002 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -56.15 146.06 24.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.364 . . . . 0.0 110.894 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.33 -24.74 57.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -57.44 -27.27 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.22 -24.03 63.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.36 -6.6 61.42 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.454 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.82 -26.9 59.18 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.151 0.975 . . . . 0.0 112.101 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.7 tt -57.24 143.93 71.7 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.933 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.1 144.29 90.56 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.21 1.273 . . . . 0.0 111.687 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -56.77 144.96 64.58 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 119.089 -0.481 . . . . 0.0 110.398 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.94 146.12 88.29 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.18 1.254 . . . . 0.0 111.499 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.53 -31.55 91.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 120.599 0.866 . . . . 0.0 111.528 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.9 m -60.01 -34.7 73.69 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.371 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 t -63.52 -50.22 70.43 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.055 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -60.24 -31.13 47.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.273 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.0 tp -60.56 -36.39 78.37 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.828 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.61 -36.49 78.72 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.971 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.18 -36.34 79.6 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.015 -0.674 . . . . 0.0 111.084 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.01 -32.41 72.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.315 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.84 88.74 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.468 . . . . 0.0 110.68 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -60.64 -38.83 86.12 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.476 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.03 -34.8 57.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.824 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.14 -36.82 78.38 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.115 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -36.38 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.95 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.39 -32.41 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.975 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.93 94.54 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.504 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -59.82 -34.93 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.588 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.23 -33.65 72.56 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.075 173.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.39 83.06 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.852 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.21 83.84 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.679 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -59.73 -37.14 78.11 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.917 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.84 86.62 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.614 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.81 -35.13 74.05 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.916 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -59.56 -32.07 70.01 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.347 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.91 87.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.535 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.85 77.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.722 173.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.04 70.91 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -57.34 -25.23 59.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -57.18 -24.34 53.78 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.28 -25.15 39.41 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.682 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.34 144.12 31.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.625 0.713 . . . . 0.0 110.724 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -56.86 145.45 63.24 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.91 -24.75 66.3 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.322 1.348 . . . . 0.0 112.696 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.72 144.96 37.18 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.2 p -57.07 145.94 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.541 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.538 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -57.26 144.76 34.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.471 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.1 -24.03 51.16 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.215 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -22.71 39.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.66 -23.04 63.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.83 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.1 -0.57 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.152 -0.804 . . . . 0.0 114.484 166.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -56.23 142.72 36.33 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.584 1.192 . . . . 0.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.93 141.04 81.4 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.349 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.51 -27.73 83.21 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 121.341 1.361 . . . . 0.0 113.904 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -57.61 145.58 68.85 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.195 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.72 -28.62 76.65 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 N-CA-C 118.126 2.318 . . . . 0.0 118.126 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.56 -31.32 91.32 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 CA-C-N 122.443 1.908 . . . . 0.0 112.124 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -60.13 -34.96 74.25 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.999 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -60.25 -37.78 81.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.83 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.33 -34.1 53.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.472 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.21 -35.01 74.45 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.07 -34.51 73.54 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.043 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.56 -36.41 78.41 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.096 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.74 -32.65 71.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.363 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 110.786 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -60.27 -39.62 87.47 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.492 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.0 -33.37 52.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.967 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.33 -35.11 73.23 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.75 -36.66 77.1 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.071 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.28 -31.72 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.1 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.39 91.51 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -34.31 55.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.788 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.06 -32.89 71.36 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.076 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.98 79.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.713 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.09 82.39 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.68 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -59.4 -36.09 75.19 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.953 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.62 80.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.667 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.77 -34.76 73.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.982 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -59.32 -32.07 69.73 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.144 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.65 87.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.822 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.95 76.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.38 174.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.3 72.31 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -57.35 -24.46 55.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -56.83 -26.77 58.97 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.85 -32.04 65.43 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.078 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -57.71 145.53 34.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 111.138 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -56.66 145.02 63.2 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.819 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -55.56 145.43 69.62 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 121.185 1.257 . . . . 0.0 111.896 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.06 -26.7 49.74 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.379 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -56.85 144.12 34.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.3 0.55 . . . . 0.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.615 -179.477 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -57.0 146.95 25.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.743 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.14 -24.35 53.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.241 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.09 -25.28 58.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -69.89 -23.05 63.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 27.09 73.25 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.95 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.53 -25.14 64.25 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.0 -27.87 3.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -168.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -25.17 54.29 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 123.521 2.293 . . . . 0.0 113.141 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -57.36 143.66 73.29 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.156 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.69 144.01 98.22 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.197 1.264 . . . . 0.0 111.824 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.06 -31.49 93.19 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.607 0.895 . . . . 0.0 111.329 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -59.67 -35.16 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.01 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.9 p -61.21 -37.77 84.18 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.529 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.467 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.42 -34.6 74.19 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.8 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.91 -34.22 72.91 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.015 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.9 mt -59.94 -34.59 73.45 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.89 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.91 -33.41 71.83 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.994 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.87 84.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.824 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.1 t -60.47 -38.66 84.94 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.653 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.87 -36.33 65.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.788 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -60.38 -34.0 73.27 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.498 175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -34.43 73.22 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.146 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.0 mm -59.66 -33.17 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.003 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.97 89.7 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.588 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.54 -34.72 55.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.843 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.18 -33.52 72.32 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.109 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.72 83.64 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.828 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.52 84.09 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.621 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 t -59.61 -36.07 75.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.022 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.41 80.98 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.66 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -36.85 77.05 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.534 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.0 -32.02 70.47 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.215 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.88 79.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.048 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.81 -36.31 78.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.484 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.84 89.23 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.434 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -58.56 -25.04 62.11 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.4 143.84 33.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 111.398 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 176.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.22 -28.2 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.949 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.67 144.19 73.82 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.218 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -59.15 -25.59 78.62 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.243 1.295 . . . . 0.0 112.621 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.16 144.4 42.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.931 -0.467 . . . . 0.0 111.931 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.9 p -57.72 146.87 29.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.448 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.451 -179.613 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -57.37 -25.89 60.17 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.95 -25.25 57.44 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.26 -26.21 60.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.07 -23.9 63.15 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.52 -7.48 8.66 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.753 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.56 143.11 36.83 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.305 1.052 . . . . 0.0 110.568 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.67 144.18 73.84 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-O 119.192 -0.432 . . . . 0.0 110.117 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.23 145.62 92.22 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 121.392 1.395 . . . . 0.0 111.867 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -56.67 145.58 60.59 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.103 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.93 143.19 83.19 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.021 1.147 . . . . 0.0 111.839 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -58.63 -31.6 95.02 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 120.775 0.983 . . . . 0.0 111.65 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.4 p -60.54 -33.67 73.0 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.406 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -65.0 -52.04 58.35 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.814 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 pt -60.0 -30.82 46.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.489 -0.885 . . . . 0.0 111.176 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -35.61 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.845 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.9 -36.48 77.06 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.93 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.89 -35.34 76.37 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.05 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.58 -33.22 72.39 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.265 175.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.6 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.188 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.81 -48.13 80.44 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.763 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -60.65 -31.68 49.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.193 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.79 -35.67 75.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.321 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.12 -37.34 79.75 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.126 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.58 -32.28 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.095 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.43 88.38 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.647 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.67 -35.4 59.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.701 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -34.11 73.35 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.146 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.27 86.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.898 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.28 84.55 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.732 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -59.69 -37.5 79.0 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.007 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.54 94.56 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.574 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.05 -36.62 77.72 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.999 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.1 -31.97 70.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.58 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.82 92.27 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.637 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.43 86.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.435 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.54 -31.24 70.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -56.81 -27.15 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -58.99 141.58 53.51 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.566 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -32.92 82.41 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.778 172.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.05 146.31 33.35 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 111.594 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -56.32 146.89 50.52 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.99 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.96 -24.58 57.99 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.321 1.347 . . . . 0.0 112.837 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.13 -29.05 59.23 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.369 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -57.44 144.9 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.961 0.38 . . . . 0.0 110.801 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.64 179.006 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -56.82 146.72 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.2 -24.81 56.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.147 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.27 -24.91 57.94 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -69.95 -25.86 63.84 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.682 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.97 -9.28 3.0 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 118.921 -0.933 . . . . 0.0 114.819 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.85 142.61 45.33 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.897 1.348 . . . . 0.0 110.737 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 pt -57.9 146.22 68.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.458 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.51 147.33 69.88 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.147 1.231 . . . . 0.0 110.222 172.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.72 144.47 55.6 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.654 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.27 -29.78 77.66 Favored 'Trans proline' 0 N--CA 1.503 2.087 0 N-CA-C 117.561 2.1 . . . . 0.0 117.561 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.51 -31.35 85.9 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 CA-C-N 121.995 1.748 . . . . 0.0 112.564 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 p -60.05 -35.72 75.74 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.837 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -60.71 -37.59 82.22 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.76 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.44 -31.8 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.841 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.67 -35.63 74.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.571 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.8 -33.55 71.88 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.888 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -34.2 72.2 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.626 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.43 -33.37 71.17 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.08 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.24 87.7 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.49 0.662 . . . . 0.0 110.593 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 m -60.36 -35.42 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.751 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -59.03 -33.02 49.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.647 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -58.92 -35.63 73.4 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.991 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.14 -33.84 72.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.321 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.68 -30.48 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.855 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.16 89.35 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.276 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.08 -35.36 60.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.86 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.5 -31.29 70.35 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.156 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.75 77.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.751 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.67 83.29 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.564 175.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -59.41 -34.68 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.888 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.61 77.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.721 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.1 mt -59.55 -34.58 72.86 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.936 -0.705 . . . . 0.0 110.88 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.22 -32.1 69.64 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.207 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -35.68 77.45 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.756 173.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.61 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.291 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.06 73.41 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -57.13 -25.92 59.66 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -56.99 140.36 49.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.01 144.24 47.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -57.28 -28.91 63.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.435 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.78 146.74 65.47 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.344 173.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.15 -24.91 61.27 Favored 'Trans proline' 0 N--CA 1.498 1.759 0 C-N-CA 121.084 1.189 . . . . 0.0 112.298 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 146.96 34.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -56.9 -24.66 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.473 -178.335 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.4 ptt85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -56.89 -25.07 56.22 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.1 tp -57.38 -26.67 61.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.23 -26.12 62.5 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.1 -24.14 63.16 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.55 -9.19 71.89 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.375 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.71 143.63 41.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 118.121 0.961 . . . . 0.0 110.265 175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 pt -57.46 144.94 70.31 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.169 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.08 141.7 96.5 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 120.93 1.087 . . . . 0.0 110.823 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.56 -30.47 7.91 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.35 139.49 90.78 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 CA-C-N 122.352 1.876 . . . . 0.0 112.699 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.05 -33.62 95.23 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 CA-C-N 119.736 0.942 . . . . 0.0 111.27 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -59.64 -34.15 72.45 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 m -61.47 -39.97 92.83 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.593 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.3 mt -59.85 -36.23 65.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.417 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.45 -33.67 74.13 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.261 174.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -34.34 73.03 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.738 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.3 -35.19 75.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.803 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.97 -33.05 71.42 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.812 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.73 83.47 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.695 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.93 -38.17 81.62 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.559 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.19 -33.98 55.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.913 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.39 -37.59 81.28 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.939 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.18 -40.81 97.28 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 pt -62.18 -29.75 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.617 174.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.87 88.59 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.441 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.76 -35.36 59.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.551 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.49 -32.89 71.86 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.918 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.08 80.97 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.698 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.81 84.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.767 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 p -60.43 -34.15 73.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.893 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.49 90.36 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.6 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.33 -36.19 77.4 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.906 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -59.98 -31.31 69.78 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 119.904 -0.718 . . . . 0.0 111.438 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.23 81.32 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.574 174.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.88 78.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.373 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.74 70.34 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -56.93 -25.67 58.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -57.03 143.86 36.61 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.72 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.93 144.48 44.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -57.09 -26.58 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -56.66 146.65 55.35 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.321 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -55.74 145.75 69.9 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.316 1.344 . . . . 0.0 111.569 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -26.41 54.1 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.622 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.4 m -56.88 -26.64 59.24 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.28 0.54 . . . . 0.0 112.143 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.5 t60 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.664 179.702 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -57.81 -25.76 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.12 -26.25 60.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.71 -25.96 61.08 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.22 -24.39 63.09 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.66 27.12 73.06 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.308 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.59 -26.77 61.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.308 0.554 . . . . 0.0 112.117 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.2 mt -57.28 143.78 72.43 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-O 119.062 -0.494 . . . . 0.0 109.864 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.0 144.34 94.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.282 1.321 . . . . 0.0 112.373 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -56.99 146.97 57.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 119.07 -0.491 . . . . 0.0 110.08 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.0 144.33 68.9 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.039 1.159 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.79 -31.29 91.92 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 120.583 0.855 . . . . 0.0 111.959 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -60.45 -37.26 80.4 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.951 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -62.6 -38.79 91.55 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.526 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.7 -34.18 54.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.845 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.26 -36.53 78.0 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.838 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -37.22 80.86 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.584 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.02 -33.71 73.69 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.273 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.89 -35.49 74.94 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.001 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.47 97.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.129 0.49 . . . . 0.0 111.107 175.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.7 m -63.32 -47.49 82.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 pt -60.93 -31.79 50.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 119.844 -0.742 . . . . 0.0 111.313 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.2 -36.39 75.29 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.928 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.84 -37.33 81.67 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.203 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.57 -31.39 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.466 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.63 -53.07 57.23 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.311 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.83 -31.25 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.217 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.37 -34.57 74.07 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.085 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.32 86.81 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.09 90.36 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.646 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -60.77 -34.78 74.98 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.029 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.18 89.14 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.727 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.25 -36.72 78.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.782 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -60.13 -31.49 70.11 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.447 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.24 82.4 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.804 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.26 79.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.405 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.09 72.09 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -57.05 -25.03 57.96 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -56.37 -25.65 50.26 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.88 -149.42 37.71 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.46 145.16 28.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.692 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.5 146.02 56.65 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.6 145.78 79.36 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.36 1.373 . . . . 0.0 111.779 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.14 145.73 33.73 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 t -56.27 145.16 27.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.811 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.3 m80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.569 -179.724 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -57.39 -26.4 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.74 -25.83 60.96 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -26.51 62.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -70.32 -21.74 62.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.69 27.4 65.17 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.421 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -55.48 144.73 24.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.346 0.573 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 pt -56.32 147.59 47.05 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.778 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.47 148.76 41.53 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.46 1.44 . . . . 0.0 111.704 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -54.56 147.48 29.54 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.78 145.57 49.44 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.207 1.271 . . . . 0.0 112.962 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.35 -29.56 84.63 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 120.758 0.972 . . . . 0.0 111.937 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 t -59.37 -35.39 73.81 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.912 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 m -61.86 -40.78 96.52 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.335 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.77 -33.93 53.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.622 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.14 -35.06 74.44 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.866 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.07 -36.6 77.71 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.773 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -37.32 82.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.019 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.1 -31.5 71.18 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 173.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.89 87.96 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.721 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.9 -40.48 93.26 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.359 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.1 mt -59.71 -35.88 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.627 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.06 -35.06 74.32 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.51 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.26 -38.09 82.44 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.161 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mp -60.95 -32.66 53.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.595 172.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.22 -53.35 50.52 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.461 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.72 -31.27 46.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.959 -0.697 . . . . 0.0 111.371 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.19 -35.0 74.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.093 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.51 89.32 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.89 83.31 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.8 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.97 -37.3 79.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.128 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.31 93.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.578 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.16 -36.53 77.76 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.991 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -60.35 -31.15 70.04 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.477 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.21 84.53 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.563 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.95 79.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.391 172.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.28 69.12 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -56.95 -25.49 57.84 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.11 -24.81 56.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.94 163.88 39.52 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -57.07 144.74 33.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.425 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -56.68 -29.45 6.0 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -56.13 144.8 79.05 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 CA-C-N 121.309 1.503 . . . . 0.0 112.21 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.01 144.88 38.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -57.15 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.6 p80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.544 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -57.18 -26.04 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.301 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.56 -25.54 60.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.8 -26.78 62.42 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.16 -20.88 63.12 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.15 0.63 28.33 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 122.062 -0.399 . . . . 0.0 113.316 -176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.83 147.57 18.81 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.935 0.867 . . . . 0.0 110.291 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.7 pt -54.78 146.09 38.2 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.759 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.68 -24.9 57.15 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.244 1.296 . . . . 0.0 113.008 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -57.11 143.13 73.26 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.22 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -59.53 142.43 98.89 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 121.162 1.242 . . . . 0.0 111.905 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.83 -32.13 94.14 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 CA-C-N 119.723 0.937 . . . . 0.0 110.994 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.3 p -60.12 -33.09 71.65 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.325 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 p -61.37 -39.47 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.18 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -59.65 -35.11 57.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.514 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.47 -34.62 74.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.912 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.88 -34.88 73.74 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.754 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.31 -35.64 76.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.971 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.14 -33.76 72.6 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.059 -0.656 . . . . 0.0 111.018 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.76 84.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.61 -39.15 87.1 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.428 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.24 -34.97 59.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.656 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.13 -36.66 77.98 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -34.27 74.57 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.264 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.7 -33.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.82 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.77 93.5 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.407 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.77 -33.88 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.916 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.15 -33.03 71.61 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.204 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.68 85.9 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.456 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 t -59.82 -35.28 74.39 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.139 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.27 86.59 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.384 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.35 -34.87 72.91 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.55 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -31.32 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.207 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.66 82.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.24 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.83 68.64 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -56.35 -25.47 49.35 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 m80 52.76 112.98 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.662 0.744 . . . . 0.0 112.138 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.19 -25.43 54.2 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.541 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.64 -25.22 52.76 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -56.08 145.81 53.26 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 119.241 -0.409 . . . . 0.0 110.627 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.57 144.81 72.85 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.261 1.307 . . . . 0.0 112.164 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.07 145.22 38.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.1 p -57.55 -24.78 58.06 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.657 -179.733 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 119.979 -0.058 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -57.92 -28.67 64.47 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.81 -27.96 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -23.45 52.63 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.7 -23.16 63.39 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.77 27.35 73.25 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -57.85 -23.4 52.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.5 mt -55.9 -27.58 3.4 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -165.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -55.99 147.5 63.18 Favored 'Trans proline' 0 N--CA 1.503 2.088 0 CA-C-N 123.303 2.216 . . . . 0.0 112.934 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -55.86 147.77 41.13 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.781 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.41 -27.97 61.19 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -175.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.6 -30.1 81.83 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 122.389 1.889 . . . . 0.0 112.2 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 p -59.86 -36.24 76.46 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.754 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -61.18 -38.4 86.38 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.733 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.79 -34.26 55.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.474 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.61 -35.33 75.86 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.934 -0.707 . . . . 0.0 110.895 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.39 -35.42 75.71 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.981 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.66 -35.11 75.42 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.932 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.15 -33.02 71.6 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.148 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.49 86.84 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.791 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.8 m -60.86 -40.87 94.54 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.402 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.1 -34.74 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.78 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.7 -34.58 73.09 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.096 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -37.43 79.85 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.742 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.63 -32.8 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.163 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.01 -49.49 74.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.698 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.04 -31.32 47.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.211 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.39 -35.12 75.01 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.057 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.57 89.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.95 0.405 . . . . 0.0 111.006 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.21 88.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.826 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -59.93 -37.87 80.72 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.0 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.18 92.72 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.537 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.77 -36.07 75.93 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.924 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -59.59 -32.51 70.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.322 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.73 94.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.95 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.52 81.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.631 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.01 93.5 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.272 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -58.52 -26.01 63.03 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -57.39 145.5 32.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.01 0.433 . . . . 0.0 111.416 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.15 149.1 31.7 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -55.94 145.0 26.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 0.0 110.576 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.42 -28.01 4.01 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -56.01 144.74 77.93 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 CA-C-N 121.922 1.722 . . . . 0.0 112.215 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.24 145.82 37.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.4 p -56.79 145.74 28.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.65 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.523 -179.784 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -57.42 -26.11 60.63 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.07 -26.32 60.19 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -57.58 -24.04 54.09 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -69.96 -22.99 63.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.1 -9.04 61.6 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.614 174.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.32 144.29 30.99 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.187 0.994 . . . . 0.0 110.526 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.01 145.75 63.32 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.39 144.49 91.38 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.236 1.291 . . . . 0.0 111.509 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -56.86 146.15 59.9 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 118.943 -0.551 . . . . 0.0 109.946 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 143.8 74.55 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 120.82 1.013 . . . . 0.0 111.005 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.7 -31.66 95.31 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.778 0.986 . . . . 0.0 112.159 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -60.38 -35.43 75.69 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.144 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.2 m -62.66 -46.45 88.11 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.147 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 tt -60.44 -30.24 46.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.377 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.76 -34.67 73.28 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.75 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.83 -33.94 72.42 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.901 174.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -60.07 -33.99 72.83 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.964 174.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.33 -34.19 72.05 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.702 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.849 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.45 -37.22 80.28 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.753 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.11 -34.85 58.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.738 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.32 -34.93 72.93 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.818 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.25 -38.27 86.08 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 pt -61.57 -30.18 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.071 -1.052 . . . . 0.0 112.002 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.75 -57.32 5.26 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.538 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.32 -30.59 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.28 -34.46 73.78 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.321 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.32 94.72 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.589 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.56 88.44 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.985 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 p -61.18 -34.54 75.22 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.336 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.4 92.84 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.296 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.27 -34.63 74.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.02 176.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -59.34 -31.41 69.16 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.262 173.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.49 80.77 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.587 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -36.72 79.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.131 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -56.98 -25.85 58.9 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -57.19 -25.75 59.51 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -30.95 59.97 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.11 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.81 141.9 47.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.13 0.465 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -58.09 145.6 72.52 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.747 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.91 143.79 80.64 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.078 1.185 . . . . 0.0 111.38 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.33 59.96 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.241 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -57.29 145.51 31.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.07 0.435 . . . . 0.0 110.995 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.1 t60 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.365 177.568 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -57.76 -25.13 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.43 -27.18 62.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.79 -24.8 58.96 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.11 -20.93 63.16 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.9 27.26 73.3 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.387 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.88 -24.62 53.2 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.8 mt -56.12 143.51 63.18 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.838 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -56.77 143.53 90.16 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.169 1.246 . . . . 0.0 112.6 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -142.21 66.13 19.6 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.751 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.22 -30.12 78.68 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 N-CA-C 115.84 1.439 . . . . 0.0 115.84 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.61 -33.42 96.58 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 CA-C-N 121.577 1.599 . . . . 0.0 111.566 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -60.17 -35.09 74.56 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.062 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 t -63.32 -48.85 76.29 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.738 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 pt -60.22 -32.69 51.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.045 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.61 -35.41 76.08 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.89 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.04 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.83 -34.99 73.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.739 175.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.66 -34.06 72.35 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.611 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.55 80.6 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.935 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.01 -38.08 81.62 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.406 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.61 -35.4 59.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.357 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -59.97 -34.49 73.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.063 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 tp -59.77 -34.73 73.37 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.199 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.69 -33.23 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.581 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.59 88.7 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.621 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.1 mm -59.68 -33.74 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.859 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.8 -33.92 72.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.863 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.33 81.95 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.639 173.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.38 -37.27 80.25 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.869 176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -59.69 -37.08 77.84 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.896 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.57 89.29 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.364 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.77 -34.9 73.59 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.985 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.5 -32.19 70.06 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.392 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.34 90.13 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.26 78.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.749 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.19 72.13 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -57.03 -26.46 60.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.8 -26.25 61.69 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.58 138.22 48.5 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.562 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -58.3 -26.39 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -56.26 145.91 54.7 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.122 -174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.47 146.81 72.37 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.378 1.385 . . . . 0.0 111.798 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.48 145.91 30.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.2 m -56.41 144.31 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.55 -179.714 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -57.29 -25.82 59.87 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.351 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.61 -25.63 60.35 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.0 tp -57.59 -26.65 61.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.32 -20.28 63.01 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.52 27.32 72.76 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.12 -176.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -54.94 144.54 22.73 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.161 0.505 . . . . 0.0 111.518 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.64 -24.4 1.48 Allowed Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.89 -20.21 43.17 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 CA-C-N 123.265 2.202 . . . . 0.0 114.318 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.71 -26.01 2.28 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 118.823 2.898 . . . . 0.0 118.823 -169.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.51 -26.62 55.29 Favored 'Trans proline' 0 N--CA 1.512 2.563 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.71 -27.79 72.55 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 CA-C-N 122.544 1.944 . . . . 0.0 112.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -58.75 -37.1 75.49 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.596 175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -61.25 -39.4 90.2 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.64 173.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.65 -33.22 51.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.571 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.25 -35.01 74.53 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.779 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -60.16 -35.69 75.9 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.765 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -60.91 -34.05 74.08 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.109 174.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.71 -33.43 71.6 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.972 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.87 88.43 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.711 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.56 -39.42 87.91 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.413 176.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.15 -33.47 53.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.767 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -59.29 -35.07 73.08 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.902 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.39 -36.04 77.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.259 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.52 -31.64 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.017 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.2 76.6 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.359 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.6 tt -60.38 -30.85 47.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.333 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -33.93 73.15 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.28 82.19 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.662 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.54 80.75 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.682 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -36.25 76.14 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.971 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.96 85.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.441 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.7 -35.37 74.37 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.762 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -59.56 -31.52 69.51 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.365 173.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.25 84.51 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.511 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.76 78.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 172.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.65 68.39 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -56.41 -25.41 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.21 144.77 33.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.447 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.24 143.61 40.9 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -57.21 145.29 32.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -56.26 -28.42 4.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.95 144.74 88.17 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 CA-C-N 122.177 1.813 . . . . 0.0 112.26 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.62 56.71 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.268 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 m -56.8 -26.32 57.68 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.271 0.536 . . . . 0.0 112.135 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.501 -179.682 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -57.64 -26.11 61.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.24 -24.37 54.25 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.16 -24.62 55.55 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.2 -21.67 63.01 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.65 -5.27 60.08 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 120.871 -0.68 . . . . 0.0 114.315 169.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -20.64 54.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -54.87 -27.99 3.59 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -164.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.96 145.74 90.06 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 CA-C-N 123.172 2.169 . . . . 0.0 111.65 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -56.35 145.18 59.15 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-O 119.223 -0.418 . . . . 0.0 110.476 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.96 145.88 82.8 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.179 1.252 . . . . 0.0 112.198 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.25 -30.86 88.98 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 120.545 0.83 . . . . 0.0 111.457 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 m -59.19 -35.19 73.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.864 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 t -60.7 -39.24 87.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.467 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.74 -35.04 57.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.522 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.82 -35.06 75.55 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.921 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.33 -34.12 73.38 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.833 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.42 -35.05 74.88 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.849 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.03 -33.67 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.692 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.56 -37.68 84.71 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -60.43 -37.41 80.82 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.487 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.51 -35.91 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.603 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -59.89 -35.19 74.32 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.849 173.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.06 -35.06 74.31 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.032 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.75 -33.31 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.806 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.25 98.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.246 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.78 -33.84 53.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.752 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.23 -33.72 72.66 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.212 176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.79 91.75 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.507 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.87 92.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.865 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.354 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.94 95.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.337 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.91 -36.73 77.62 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.999 -0.681 . . . . 0.0 110.78 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -59.91 -31.71 70.08 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.511 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.93 93.05 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.892 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.11 92.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.349 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.5 -34.01 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -57.6 -24.98 59.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -56.78 141.17 45.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.136 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.3 145.43 48.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.14 -24.63 63.18 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 166.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -56.69 -26.83 2.82 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 117.725 2.491 . . . . 0.0 117.725 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.26 146.32 61.39 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 CA-C-N 123.089 2.139 . . . . 0.0 112.582 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.55 47.15 92.6 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -57.74 144.52 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.618 0.247 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.655 178.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -56.79 144.8 31.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.687 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -57.25 -27.01 61.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.002 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.94 -26.1 61.81 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.09 -23.19 63.01 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 27.11 73.25 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.296 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.66 144.25 32.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.355 0.578 . . . . 0.0 110.538 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.01 144.1 69.72 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.104 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.53 146.44 84.04 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 121.447 1.431 . . . . 0.0 112.05 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -56.12 146.36 50.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.187 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -54.71 143.03 71.64 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 120.933 1.088 . . . . 0.0 111.469 -174.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.77 -32.09 93.91 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 120.612 0.875 . . . . 0.0 111.824 -177.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -60.15 -36.23 77.09 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.041 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.4 t -62.08 -41.56 98.3 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.414 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.6 -35.27 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.724 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.69 -36.72 79.48 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.077 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.6 -36.85 79.58 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.209 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.23 -38.41 86.54 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.981 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.41 -33.68 74.1 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.664 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.82 98.61 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -61.5 -42.23 98.49 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.0 -36.41 67.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.574 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.34 -35.35 75.45 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.13 -37.16 79.22 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.13 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.13 -34.88 58.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.77 173.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.53 96.35 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.961 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.76 -35.64 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -35.07 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.2 173.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.87 91.96 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.014 175.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.02 89.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.8 t -60.27 -39.05 85.45 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.913 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.09 93.41 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.562 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.7 -35.26 74.14 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.01 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -59.54 -32.96 70.8 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.352 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.41 95.18 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.462 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -35.46 79.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.831 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.14 73.8 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -25.84 60.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.235 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -57.56 145.27 34.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.966 0.412 . . . . 0.0 111.696 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.68 -169.68 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.067 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.82 146.19 27.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.322 -0.439 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -56.03 146.6 48.84 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.78 145.94 58.26 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.319 1.346 . . . . 0.0 112.207 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.72 47.92 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -57.12 -26.45 60.51 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.432 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -56.59 145.84 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.0 -25.81 59.15 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.036 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.56 -24.77 58.02 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.2 -22.17 62.96 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.62 -8.63 13.47 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.583 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -56.97 -26.84 60.65 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.168 0.984 . . . . 0.0 111.858 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.01 144.16 69.53 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 118.999 -0.524 . . . . 0.0 109.677 176.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.1 145.38 75.95 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.292 1.328 . . . . 0.0 111.358 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.8 -26.69 2.81 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.69 -28.66 67.23 Favored 'Trans proline' 0 N--CA 1.508 2.379 0 CA-C-N 123.461 2.272 . . . . 0.0 117.594 -168.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.58 -30.88 90.11 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 CA-C-N 122.336 1.87 . . . . 0.0 111.584 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -59.81 -34.65 73.33 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.943 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -61.1 -39.18 88.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.516 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.85 -35.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.567 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.99 -34.42 74.77 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.919 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.82 -34.44 73.07 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.886 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.99 -34.7 73.69 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.854 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.99 -33.04 71.43 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.842 172.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.25 80.62 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.975 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.68 -46.01 90.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.947 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.09 -31.69 50.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 119.17 -1.012 . . . . 0.0 111.118 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -59.58 -34.94 73.35 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.026 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.15 -34.2 73.23 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.186 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.53 -32.29 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.894 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.91 92.44 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.331 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.89 -33.23 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.743 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.79 -33.19 71.4 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.76 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.16 80.14 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.509 172.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.1 83.81 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.903 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 p -60.58 -34.48 74.25 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.95 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.17 87.41 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.433 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.98 -36.55 77.4 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.998 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.18 -31.06 69.77 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.437 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.56 82.03 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.581 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.2 79.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 172.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.44 68.88 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -56.57 -24.7 49.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -56.41 -24.94 48.24 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.07 145.45 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -57.31 -24.68 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -55.98 144.79 56.97 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.77 -174.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -57.58 -24.22 60.99 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.421 1.414 . . . . 0.0 113.141 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.65 140.8 40.14 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.521 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -58.1 -26.47 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.5 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.578 -176.668 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -57.58 -26.27 61.22 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.21 -24.49 54.89 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.0 tp -57.29 -25.77 59.79 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -69.92 -22.31 63.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.84 -5.54 23.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.482 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.5 -26.04 53.17 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.069 0.935 . . . . 0.0 112.071 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 tt -56.84 143.78 69.12 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-O 119.08 -0.486 . . . . 0.0 110.135 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.54 146.05 85.95 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.476 1.451 . . . . 0.0 112.419 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 42.75 58.23 11.24 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.46 146.66 61.87 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.428 1.418 . . . . 0.0 111.923 -175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.68 -28.15 74.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.717 0.945 . . . . 0.0 111.77 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -59.2 -35.42 73.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.902 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.6 m -61.39 -40.4 94.23 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 173.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.79 -33.48 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.651 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.32 -34.23 73.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.763 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.3 tp -59.71 -35.25 74.12 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.725 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.9 tp -60.55 -34.51 74.25 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.063 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.99 -32.18 70.6 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.966 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.87 83.39 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 174.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.3 m -60.32 -38.11 82.72 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.574 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.26 -33.26 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.801 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.89 -37.06 78.29 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.389 -0.924 . . . . 0.0 110.887 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.4 -40.13 95.49 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 pt -62.24 -29.13 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.543 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.87 87.48 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.742 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.2 tt -60.67 -30.43 46.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.424 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -33.8 72.32 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.771 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.67 76.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.96 0.41 . . . . 0.0 110.76 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.59 77.07 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.669 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.15 -36.58 75.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.696 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.94 82.39 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.508 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.65 -34.45 72.84 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.038 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -59.12 -32.24 69.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.102 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.06 83.56 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.411 172.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.44 -33.57 73.94 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.77 172.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.3 69.68 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -56.84 -25.66 56.71 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -57.26 -24.72 56.64 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.52 -26.14 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.562 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -56.55 144.73 30.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.49 0.645 . . . . 0.0 110.726 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -56.58 146.07 57.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.31 145.23 79.06 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.237 1.291 . . . . 0.0 111.641 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 144.33 36.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.14 144.61 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 0.0 110.651 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.394 179.432 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -57.03 146.03 28.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.48 -24.75 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.3 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.71 -25.79 60.83 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.28 -22.63 62.83 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.39 -9.0 22.89 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.461 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.17 -24.52 59.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.988 0.894 . . . . 0.0 112.765 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 pp -55.76 -26.63 2.52 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -164.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.06 141.1 96.12 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 CA-C-N 123.334 2.227 . . . . 0.0 111.648 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -57.71 -29.28 5.78 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 116.949 2.204 . . . . 0.0 116.949 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -56.43 143.02 88.55 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 CA-C-N 122.563 1.951 . . . . 0.0 113.264 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.38 -29.64 88.86 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 120.753 0.969 . . . . 0.0 111.612 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -59.07 -33.23 70.56 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.014 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -61.17 -40.91 95.66 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.164 174.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.84 -34.41 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.59 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.75 -33.61 73.2 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.996 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.56 -34.88 73.25 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.596 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.32 -34.67 74.14 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.87 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.75 -32.15 70.3 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.736 172.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.26 81.72 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.642 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.3 m -60.24 -38.23 82.79 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.238 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.94 -33.8 54.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.683 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.6 -34.42 72.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.803 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.87 -35.41 74.74 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.046 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.02 -31.95 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.737 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.54 85.83 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.616 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.85 -35.88 63.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.797 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.92 -32.84 72.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.857 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.08 75.68 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.731 172.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.15 78.86 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.644 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -59.44 -36.94 76.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.494 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.47 81.98 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.575 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.0 tp -59.71 -34.8 73.38 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.953 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -59.22 -32.53 70.05 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.118 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.92 84.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.498 172.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.15 77.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.619 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.72 71.32 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -56.94 -26.47 59.55 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.83 145.34 35.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.945 0.402 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.09 148.23 33.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 175.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.53 -23.52 58.4 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -56.28 -27.19 3.05 Favored Pre-proline 0 CA--C 1.546 0.799 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 -167.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.62 146.41 76.24 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 CA-C-N 123.027 2.117 . . . . 0.0 112.742 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.32 52.74 0.67 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 t -57.58 -25.42 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.3 t60 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.957 -179.117 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -56.57 144.73 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 111.03 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.52 -24.07 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.51 -26.98 62.14 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.26 -28.21 65.05 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.953 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.15 -9.22 1.65 Allowed Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.592 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.82 140.16 55.46 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.825 1.313 . . . . 0.0 110.217 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.4 143.61 85.33 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.966 173.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.21 142.07 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 120.986 1.124 . . . . 0.0 110.72 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.37 141.81 82.54 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.253 174.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -59.19 -37.6 90.88 Favored 'Trans proline' 0 N--CA 1.501 1.916 0 CA-C-N 120.272 1.133 . . . . 0.0 114.725 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.67 -33.05 96.13 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.845 1.03 . . . . 0.0 113.141 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -60.59 -33.71 73.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 119.757 -0.777 . . . . 0.0 111.04 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.5 p -66.34 -52.22 49.24 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.892 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.86 -32.26 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.75 -34.89 75.13 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.262 174.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.03 -35.93 76.18 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.871 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.43 -36.17 77.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.931 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.5 -33.82 73.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.2 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.215 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.9 m -63.31 -48.51 77.77 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.832 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 pt -60.83 -32.39 51.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.341 -0.943 . . . . 0.0 111.236 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.88 -35.56 75.09 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.106 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.45 -34.69 74.35 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.399 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.77 -33.84 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.763 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.0 96.36 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.461 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.777 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.04 -33.86 72.61 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.082 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.48 86.54 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.541 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.32 81.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m -59.76 -36.64 77.07 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.102 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.87 90.11 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.358 175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.71 -35.24 74.12 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.905 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -59.57 -31.97 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.318 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.49 86.4 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.531 174.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.81 78.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -32.21 70.91 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -57.0 -25.64 58.81 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -56.97 145.24 30.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.226 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.99 177.4 0.4 Allowed Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.857 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -56.58 145.89 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.347 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -55.82 146.36 47.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.396 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.08 144.96 66.74 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.222 1.281 . . . . 0.0 112.244 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.73 146.45 34.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.7 p -57.22 -24.75 56.74 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.3 m80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.57 179.667 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 t -57.34 -26.54 61.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.25 -25.41 59.12 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.5 -27.1 62.23 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.25 -24.07 63.01 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.67 22.59 71.83 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.501 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.79 -25.17 60.18 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.423 0.612 . . . . 0.0 112.548 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 pt -56.1 144.24 60.21 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.593 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -58.03 -26.36 74.8 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 121.245 1.296 . . . . 0.0 112.976 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.28 143.93 72.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 119.116 -0.468 . . . . 0.0 110.671 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.72 144.24 98.17 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.206 1.271 . . . . 0.0 111.215 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.18 -32.65 96.24 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 CA-C-N 119.595 0.891 . . . . 0.0 111.393 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -59.97 -36.17 76.57 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.979 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.0 m -61.21 -38.66 87.4 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.734 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.43 -34.34 54.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.402 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -36.77 79.11 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.531 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.63 -35.52 76.38 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.979 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.63 -35.46 76.21 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.032 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -60.01 -34.32 73.19 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.105 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.93 92.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 110.536 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.64 -37.69 82.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.795 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.17 -36.07 65.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 120.064 -0.654 . . . . 0.0 110.836 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -60.53 -37.14 80.23 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.298 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.79 -35.77 79.15 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.598 174.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.64 -32.44 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.406 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.92 21.41 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.199 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.28 -31.65 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.25 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.38 -34.79 74.4 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.326 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.09 90.83 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.768 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.16 88.58 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.797 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.12 -37.03 78.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.263 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.21 96.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.455 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -36.38 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.976 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -60.35 -31.35 70.24 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.576 173.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.84 87.63 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.516 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.71 79.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.454 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.1 69.48 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -56.67 -26.27 55.93 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -57.73 146.17 32.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.737 0.303 . . . . 0.0 110.673 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.22 147.89 30.14 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -56.27 -26.91 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt 31.37 58.27 1.09 Allowed Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -54.2 144.86 57.31 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.195 1.263 . . . . 0.0 111.75 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 144.69 35.98 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.3 m -57.18 144.51 34.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.613 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -59.82 -34.93 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.588 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.23 -33.65 72.56 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.075 173.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.31 -37.39 83.06 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.852 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.21 83.84 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.679 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -59.73 -37.14 78.11 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.917 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -38.84 86.62 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.614 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.81 -35.13 74.05 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.916 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -59.56 -32.07 70.01 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.347 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.0 -38.91 87.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.535 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.722 173.434 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -34.31 55.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.788 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.06 -32.89 71.36 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.076 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.5 -36.98 79.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.713 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.09 82.39 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.68 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -59.4 -36.09 75.19 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.953 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.14 -37.62 80.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.667 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.77 -34.76 73.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.982 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -59.32 -32.07 69.73 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.144 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.4 -38.65 87.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.822 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.38 174.376 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.924 0.393 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.54 -34.72 55.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.843 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.18 -33.52 72.32 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.109 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.05 -37.72 83.64 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.828 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.52 84.09 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.621 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 t -59.61 -36.07 75.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.022 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.49 -37.41 80.98 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.66 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -36.85 77.05 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.534 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.0 -32.02 70.47 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.215 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -35.88 79.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.048 173.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.484 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.648 0.261 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.67 -35.4 59.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.701 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -34.11 73.35 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.146 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.52 -38.27 86.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.898 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.28 84.55 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.732 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -59.69 -37.5 79.0 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.007 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.3 -40.54 94.56 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.574 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.05 -36.62 77.72 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.999 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.1 -31.97 70.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.58 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.47 -39.82 92.27 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.637 176.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.435 174.81 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.08 -35.36 60.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.86 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.5 -31.29 70.35 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.156 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.71 -36.75 77.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.751 174.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.67 83.29 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.564 175.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -59.41 -34.68 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.888 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -59.93 -36.61 77.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.721 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 79.1 mt -59.55 -34.58 72.86 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.936 -0.705 . . . . 0.0 110.88 176.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.22 -32.1 69.64 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.207 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.98 -35.68 77.45 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.756 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.221 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.291 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.76 -35.36 59.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.551 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.49 -32.89 71.86 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.918 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.89 -37.08 80.97 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.698 173.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.81 84.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.767 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 p -60.43 -34.15 73.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.893 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.19 -39.49 90.36 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.6 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 mm? -60.33 -36.19 77.4 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.906 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -59.98 -31.31 69.78 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 119.904 -0.718 . . . . 0.0 111.438 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.23 81.32 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.574 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.373 173.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.407 0.146 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.83 -31.25 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.217 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.37 -34.57 74.07 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.085 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.46 -38.32 86.81 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.793 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.09 90.36 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.646 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -60.77 -34.78 74.98 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.029 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -39.18 89.14 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.727 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.25 -36.72 78.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.782 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -60.13 -31.49 70.11 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.447 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.25 -37.24 82.4 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.804 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.405 174.598 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.587 0.232 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.72 -31.27 46.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.959 -0.697 . . . . 0.0 111.371 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.19 -35.0 74.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.093 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.51 89.32 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.89 83.31 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.8 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.97 -37.3 79.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.128 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -40.31 93.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.578 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.16 -36.53 77.76 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.991 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -60.35 -31.15 70.04 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.477 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.78 -38.21 84.53 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.563 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.391 172.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.77 -33.88 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.916 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.15 -33.03 71.61 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.204 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.72 -38.68 85.9 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.456 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 t -59.82 -35.28 74.39 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.139 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.36 -39.27 86.59 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.384 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.35 -34.87 72.91 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.55 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -31.32 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.207 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.66 82.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.24 171.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.262 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.04 -31.32 47.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.211 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.39 -35.12 75.01 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.057 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.33 -38.57 89.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.95 0.405 . . . . 0.0 111.006 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.21 88.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.826 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -59.93 -37.87 80.72 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.0 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.08 -40.18 92.72 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.77 -36.07 75.93 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.924 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -59.59 -32.51 70.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.322 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.35 -39.73 94.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.95 174.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.631 177.868 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.421 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.32 -30.59 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.28 -34.46 73.78 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.321 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.32 94.72 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.589 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.56 88.44 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.985 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 p -61.18 -34.54 75.22 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.336 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.87 -40.4 92.84 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.296 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 mm? -60.27 -34.63 74.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.02 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -59.34 -31.41 69.16 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.262 173.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.33 -37.49 80.77 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.587 174.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.214 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.131 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 44.1 mm -59.68 -33.74 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.859 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.8 -33.92 72.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.863 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.93 -37.33 81.95 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.639 173.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.38 -37.27 80.25 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.869 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -59.69 -37.08 77.84 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.896 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -39.57 89.29 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.364 175.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.77 -34.9 73.59 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.985 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.5 -32.19 70.06 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.392 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.31 -39.34 90.13 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.475 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.749 173.827 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.236 0.348 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 19.6 tt -60.38 -30.85 47.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.333 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -33.93 73.15 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.09 -37.28 82.19 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.662 173.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.26 -37.54 80.75 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.682 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -36.25 76.14 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.971 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.38 -38.96 85.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.441 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.7 -35.37 74.37 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.762 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -59.56 -31.52 69.51 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.365 173.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.74 -38.25 84.51 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.511 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 172.198 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.318 0 CA-C-O 121.07 0.462 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.78 -33.84 53.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.752 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.23 -33.72 72.66 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.212 176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.79 91.75 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.507 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.87 92.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.865 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.354 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.94 -40.94 95.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.337 177.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.91 -36.73 77.62 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.999 -0.681 . . . . 0.0 110.78 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -59.91 -31.71 70.08 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.511 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.63 -39.93 93.05 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.892 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.349 176.138 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.553 0.216 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.76 -35.64 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.6 mp -60.71 -35.07 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.2 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.63 -38.87 91.96 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.014 175.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.02 89.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.8 t -60.27 -39.05 85.45 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.913 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -40.09 93.41 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.562 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.7 -35.26 74.14 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.01 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -59.54 -32.96 70.8 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.352 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.82 -40.41 95.18 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.462 175.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.831 174.639 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.3 mt -59.89 -33.23 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.743 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.79 -33.19 71.4 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.76 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.47 -37.16 80.14 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.509 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.68 -38.1 83.81 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.903 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 p -60.58 -34.48 74.25 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.95 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.67 -39.17 87.41 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.433 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.98 -36.55 77.4 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.998 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.18 -31.06 69.77 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.437 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.69 -37.56 82.03 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.581 174.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 172.85 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.297 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 20.2 tt -60.67 -30.43 46.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.424 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -33.8 72.32 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.771 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.57 -35.67 76.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.96 0.41 . . . . 0.0 110.76 171.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.8 -36.59 77.07 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.669 176.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.15 -36.58 75.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.696 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.39 -37.94 82.39 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.508 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.8 tp -59.65 -34.45 72.84 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.038 177.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -59.12 -32.24 69.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.102 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.64 -38.06 83.56 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.411 172.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.77 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.553 0.216 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 45.6 mm -59.85 -35.88 63.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.797 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -60.92 -32.84 72.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.857 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.86 -35.08 75.68 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.731 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.0 -37.15 78.86 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.644 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -59.44 -36.94 76.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.494 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.78 -37.47 81.98 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.575 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.0 tp -59.71 -34.8 73.38 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.953 177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -59.22 -32.53 70.05 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.118 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.99 -37.92 84.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.498 172.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.619 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.5 mt -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.777 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.04 -33.86 72.61 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.082 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.13 -38.48 86.54 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.541 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.74 -37.32 81.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m -59.76 -36.64 77.07 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.102 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.7 -39.87 90.11 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.358 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.71 -35.24 74.12 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.905 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -59.57 -31.97 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.318 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.06 -38.49 86.4 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.531 174.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 173.337 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.396 0 CA-C-O 120.52 0.2 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.28 -31.65 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.25 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.38 -34.79 74.4 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.326 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.09 90.83 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.768 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.16 88.58 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.797 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.12 -37.03 78.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.263 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.5 -41.21 96.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.455 178.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -36.38 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.976 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -60.35 -31.35 70.24 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.576 173.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.07 -38.84 87.63 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.516 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.454 173.002 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -56.15 146.06 24.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.364 . . . . 0.0 110.894 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.2 mp -57.33 -24.74 57.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.406 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -57.44 -27.27 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.22 -24.03 63.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.36 -6.6 61.42 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.454 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.82 -26.9 59.18 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.151 0.975 . . . . 0.0 112.101 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.7 tt -57.24 143.93 71.7 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.933 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.1 144.29 90.56 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.21 1.273 . . . . 0.0 111.687 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -56.77 144.96 64.58 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 119.089 -0.481 . . . . 0.0 110.398 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.94 146.12 88.29 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.18 1.254 . . . . 0.0 111.499 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' HG22 ' A' ' 15' ' ' ILE . 36.7 Cg_exo -57.53 -31.55 91.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 120.599 0.866 . . . . 0.0 111.528 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.9 m -60.01 -34.7 73.69 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.371 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 t -63.52 -50.22 70.43 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.055 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 12' ' ' PRO . 18.4 tt -60.24 -31.13 47.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.273 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.791 HD12 HD12 ' A' ' 19' ' ' LEU . 36.0 tp -60.56 -36.39 78.37 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.828 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.8 tp -60.61 -36.49 78.72 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.971 175.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.18 -36.34 79.6 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.015 -0.674 . . . . 0.0 111.084 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.791 HD12 HD12 ' A' ' 16' ' ' LEU . 83.2 mt -61.01 -32.41 72.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.315 173.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.47 -38.84 88.74 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.468 . . . . 0.0 110.68 174.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -60.64 -38.83 86.12 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.476 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.03 -34.8 57.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.824 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 53.6 t80 -60.14 -36.82 78.38 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.115 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 27' ' ' ILE . 4.4 mm? -60.89 -36.38 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.95 175.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.39 -32.41 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.975 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -60.81 -40.93 94.54 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.504 176.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 24' ' ' LEU . 76.5 mt -59.82 -34.93 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.588 177.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.23 -33.65 72.56 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.075 173.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.31 -37.39 83.06 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.852 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.21 83.84 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.679 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -59.73 -37.14 78.11 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.917 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -38.84 86.62 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.614 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.81 -35.13 74.05 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.916 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.416 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 59.9 t-105 -59.56 -32.07 70.01 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.347 173.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.0 -38.91 87.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.535 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.85 77.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.722 173.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.37 -32.04 70.91 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -57.34 -25.23 59.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -57.18 -24.34 53.78 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.28 -25.15 39.41 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.682 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.34 144.12 31.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.625 0.713 . . . . 0.0 110.724 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -56.86 145.45 63.24 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.91 -24.75 66.3 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.322 1.348 . . . . 0.0 112.696 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.72 144.96 37.18 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.2 p -57.07 145.94 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.541 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.538 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -57.26 144.76 34.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.471 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt -57.1 -24.03 51.16 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.215 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -22.71 39.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.66 -23.04 63.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.83 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.1 -0.57 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.152 -0.804 . . . . 0.0 114.484 166.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -56.23 142.72 36.33 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.584 1.192 . . . . 0.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG22 ' H ' ' A' ' 10' ' ' PHE . 66.4 mt -57.93 141.04 81.4 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.349 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.51 -27.73 83.21 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 121.341 1.361 . . . . 0.0 113.904 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' H ' HG22 ' A' ' 8' ' ' ILE . 51.6 m-85 -57.61 145.58 68.85 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.195 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.72 -28.62 76.65 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 N-CA-C 118.126 2.318 . . . . 0.0 118.126 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.56 -31.32 91.32 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 CA-C-N 122.443 1.908 . . . . 0.0 112.124 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -60.13 -34.96 74.25 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.999 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -60.25 -37.78 81.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.83 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.33 -34.1 53.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.472 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.21 -35.01 74.45 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.6 tp -60.07 -34.51 73.54 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.043 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.56 -36.41 78.41 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.096 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 19' ' ' LEU . 8.9 mp -60.74 -32.65 71.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.363 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.11 -39.67 90.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 110.786 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -60.27 -39.62 87.47 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.492 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.0 -33.37 52.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.967 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.497 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 53.5 t80 -59.33 -35.11 73.23 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.799 HD12 HD12 ' A' ' 27' ' ' ILE . 26.9 tp -59.75 -36.66 77.1 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.071 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.28 -31.72 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.1 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -59.89 -41.39 91.51 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.799 HD12 HD12 ' A' ' 24' ' ' LEU . 81.7 mt -59.94 -34.31 55.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.788 176.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.06 -32.89 71.36 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.076 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.5 -36.98 79.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.713 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.09 82.39 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.68 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -59.4 -36.09 75.19 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.953 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.14 -37.62 80.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.667 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.77 -34.76 73.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.982 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.1 t90 -59.32 -32.07 69.73 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.144 172.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.4 -38.65 87.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.822 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.95 76.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.38 174.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.41 -33.3 72.31 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -57.35 -24.46 55.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -56.83 -26.77 58.97 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.85 -32.04 65.43 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.078 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -57.71 145.53 34.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 111.138 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -56.66 145.02 63.2 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.819 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -55.56 145.43 69.62 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 121.185 1.257 . . . . 0.0 111.896 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.06 -26.7 49.74 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.379 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -56.85 144.12 34.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.3 0.55 . . . . 0.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.615 -179.477 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -57.0 146.95 25.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.743 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.1 mp -57.14 -24.35 53.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.241 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.09 -25.28 58.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -69.89 -23.05 63.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 27.09 73.25 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.95 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.53 -25.14 64.25 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.0 -27.87 3.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -168.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -25.17 54.29 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 123.521 2.293 . . . . 0.0 113.141 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -57.36 143.66 73.29 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.156 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.69 144.01 98.22 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.197 1.264 . . . . 0.0 111.824 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.06 -31.49 93.19 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.607 0.895 . . . . 0.0 111.329 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -59.67 -35.16 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.01 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.9 p -61.21 -37.77 84.18 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.529 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.467 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.42 -34.6 74.19 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.8 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.2 tp -59.91 -34.22 72.91 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.015 175.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.9 mt -59.94 -34.59 73.45 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.89 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.91 -33.41 71.83 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.994 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.01 -37.87 84.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.824 174.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.1 t -60.47 -38.66 84.94 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.653 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.87 -36.33 65.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.788 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 74.1 m-85 -60.38 -34.0 73.27 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.498 175.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -34.43 73.22 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.146 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.0 mm -59.66 -33.17 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.003 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.51 -39.97 89.7 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.588 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.54 -34.72 55.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.843 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.18 -33.52 72.32 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.109 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.05 -37.72 83.64 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.828 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.52 84.09 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.621 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 t -59.61 -36.07 75.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.022 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.49 -37.41 80.98 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.66 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -36.85 77.05 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.534 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.0 -32.02 70.47 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.215 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -35.88 79.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.048 173.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.81 -36.31 78.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.484 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.84 89.23 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.434 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -58.56 -25.04 62.11 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.4 143.84 33.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 111.398 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 176.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.22 -28.2 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.949 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.67 144.19 73.82 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.218 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -59.15 -25.59 78.62 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.243 1.295 . . . . 0.0 112.621 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.16 144.4 42.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.931 -0.467 . . . . 0.0 111.931 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.9 p -57.72 146.87 29.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.448 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.451 -179.613 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -57.37 -25.89 60.17 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt -56.95 -25.25 57.44 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.26 -26.21 60.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.07 -23.9 63.15 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.52 -7.48 8.66 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.753 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.56 143.11 36.83 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.305 1.052 . . . . 0.0 110.568 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.67 144.18 73.84 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-O 119.192 -0.432 . . . . 0.0 110.117 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.23 145.62 92.22 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 121.392 1.395 . . . . 0.0 111.867 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -56.67 145.58 60.59 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.103 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.93 143.19 83.19 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.021 1.147 . . . . 0.0 111.839 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -58.63 -31.6 95.02 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 120.775 0.983 . . . . 0.0 111.65 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.4 p -60.54 -33.67 73.0 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.406 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -65.0 -52.04 58.35 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.814 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 pt -60.0 -30.82 46.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.489 -0.885 . . . . 0.0 111.176 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 16' ' ' LEU . 8.7 tt -60.11 -35.61 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.845 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 28.3 tp -59.9 -36.48 77.06 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.93 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.89 -35.34 76.37 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.05 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 22' ' ' ILE . 64.9 mt -60.58 -33.22 72.39 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.265 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.17 -37.8 86.6 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.188 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.81 -48.13 80.44 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.763 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 25' ' ' ILE . 3.2 tp -60.65 -31.68 49.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.193 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 65.0 t80 -59.79 -35.67 75.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.321 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.12 -37.34 79.75 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.126 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 22' ' ' ILE . 78.8 mt -60.58 -32.28 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.095 172.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.67 -39.43 88.38 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.647 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.67 -35.4 59.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.701 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -34.11 73.35 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.146 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.52 -38.27 86.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.898 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.28 84.55 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.732 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -59.69 -37.5 79.0 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.007 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.3 -40.54 94.56 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.574 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.05 -36.62 77.72 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.999 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.1 -31.97 70.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.58 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.47 -39.82 92.27 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.637 176.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.43 86.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.435 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.54 -31.24 70.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -56.81 -27.15 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -58.99 141.58 53.51 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.566 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -32.92 82.41 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.778 172.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' OE1' HG21 ' A' ' 45' ' ' THR . 95.2 mt-30 -58.05 146.31 33.35 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 111.594 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -56.32 146.89 50.52 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.99 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.96 -24.58 57.99 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.321 1.347 . . . . 0.0 112.837 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.13 -29.05 59.23 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.369 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.464 HG21 ' OE1' ' A' ' 41' ' ' GLN . 33.8 m -57.44 144.9 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.961 0.38 . . . . 0.0 110.801 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.64 179.006 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -56.82 146.72 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.2 -24.81 56.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.147 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.27 -24.91 57.94 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -69.95 -25.86 63.84 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.682 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.97 -9.28 3.0 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 118.921 -0.933 . . . . 0.0 114.819 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.85 142.61 45.33 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.897 1.348 . . . . 0.0 110.737 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 pt -57.9 146.22 68.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.458 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.51 147.33 69.88 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.147 1.231 . . . . 0.0 110.222 172.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.72 144.47 55.6 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.654 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.27 -29.78 77.66 Favored 'Trans proline' 0 N--CA 1.503 2.087 0 N-CA-C 117.561 2.1 . . . . 0.0 117.561 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.51 -31.35 85.9 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 CA-C-N 121.995 1.748 . . . . 0.0 112.564 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 p -60.05 -35.72 75.74 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.837 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -60.71 -37.59 82.22 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.76 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.44 -31.8 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.841 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.67 -35.63 74.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.571 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.0 tp -59.8 -33.55 71.88 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.888 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.43 -34.2 72.2 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.626 175.343 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.43 -33.37 71.17 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.08 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.68 -39.24 87.7 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.49 0.662 . . . . 0.0 110.593 174.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 m -60.36 -35.42 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.751 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 25' ' ' ILE . 45.3 mm -59.03 -33.02 49.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.647 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 67.1 t80 -58.92 -35.63 73.4 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.991 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.14 -33.84 72.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.321 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.448 HD12 HG23 ' A' ' 22' ' ' ILE . 61.0 mt -59.68 -30.48 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.855 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -59.52 -41.16 89.35 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.276 173.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.08 -35.36 60.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.86 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.5 -31.29 70.35 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.156 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.71 -36.75 77.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.751 174.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.67 83.29 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.564 175.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -59.41 -34.68 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.888 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -59.93 -36.61 77.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.721 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 79.1 mt -59.55 -34.58 72.86 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.936 -0.705 . . . . 0.0 110.88 176.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.433 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 63.0 t-105 -59.22 -32.1 69.64 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.207 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.98 -35.68 77.45 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.756 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.51 -35.61 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.291 173.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.42 -34.06 73.41 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -57.13 -25.92 59.66 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -56.99 140.36 49.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.01 144.24 47.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -57.28 -28.91 63.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.435 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.78 146.74 65.47 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.344 173.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.15 -24.91 61.27 Favored 'Trans proline' 0 N--CA 1.498 1.759 0 C-N-CA 121.084 1.189 . . . . 0.0 112.298 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 146.96 34.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -56.9 -24.66 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.473 -178.335 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.4 ptt85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -56.89 -25.07 56.22 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.1 tp -57.38 -26.67 61.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.23 -26.12 62.5 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.1 -24.14 63.16 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.55 -9.19 71.89 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.375 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.71 143.63 41.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 118.121 0.961 . . . . 0.0 110.265 175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 15' ' ' ILE . 36.2 pt -57.46 144.94 70.31 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.169 176.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.08 141.7 96.5 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 120.93 1.087 . . . . 0.0 110.823 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.56 -30.47 7.91 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.35 139.49 90.78 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 CA-C-N 122.352 1.876 . . . . 0.0 112.699 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.05 -33.62 95.23 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 CA-C-N 119.736 0.942 . . . . 0.0 111.27 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -59.64 -34.15 72.45 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 m -61.47 -39.97 92.83 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.593 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 8' ' ' ILE . 79.3 mt -59.85 -36.23 65.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.417 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 16' ' ' LEU . 9.0 mp -61.45 -33.67 74.13 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.261 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 64.2 mt -59.89 -34.34 73.03 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.738 175.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.3 -35.19 75.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.803 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.97 -33.05 71.42 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.812 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.97 -37.73 83.47 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.695 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.93 -38.17 81.62 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.559 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.19 -33.98 55.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.913 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 57.5 t80 -60.39 -37.59 81.28 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.939 175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 24' ' ' LEU . 9.6 mp -62.18 -40.81 97.28 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 pt -62.18 -29.75 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.617 174.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -60.33 -39.87 88.59 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.441 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.76 -35.36 59.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.551 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.49 -32.89 71.86 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.918 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.89 -37.08 80.97 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.698 173.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.81 84.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.767 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 p -60.43 -34.15 73.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.893 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.19 -39.49 90.36 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.6 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 mm? -60.33 -36.19 77.4 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.906 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.474 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 84.8 m95 -59.98 -31.31 69.78 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 119.904 -0.718 . . . . 0.0 111.438 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.23 81.32 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.574 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -61.46 -35.88 78.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.373 173.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.12 -31.74 70.34 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 175.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -56.93 -25.67 58.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -57.03 143.86 36.61 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.72 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.93 144.48 44.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -57.09 -26.58 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -56.66 146.65 55.35 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.321 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -55.74 145.75 69.9 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.316 1.344 . . . . 0.0 111.569 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -26.41 54.1 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.622 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.4 m -56.88 -26.64 59.24 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.28 0.54 . . . . 0.0 112.143 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.5 t60 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.664 179.702 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -57.81 -25.76 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.12 -26.25 60.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.71 -25.96 61.08 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.22 -24.39 63.09 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.66 27.12 73.06 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.308 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.59 -26.77 61.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.308 0.554 . . . . 0.0 112.117 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.2 mt -57.28 143.78 72.43 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-O 119.062 -0.494 . . . . 0.0 109.864 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.0 144.34 94.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.282 1.321 . . . . 0.0 112.373 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -56.99 146.97 57.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 119.07 -0.491 . . . . 0.0 110.08 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.0 144.33 68.9 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.039 1.159 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.79 -31.29 91.92 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 120.583 0.855 . . . . 0.0 111.959 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -60.45 -37.26 80.4 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.951 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -62.6 -38.79 91.55 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.526 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.7 -34.18 54.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.845 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.26 -36.53 78.0 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.838 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -60.67 -37.22 80.86 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.584 175.438 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.02 -33.71 73.69 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.273 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.89 -35.49 74.94 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.001 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.47 97.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.129 0.49 . . . . 0.0 111.107 175.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.7 m -63.32 -47.49 82.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 pt -60.93 -31.79 50.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 119.844 -0.742 . . . . 0.0 111.313 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.2 -36.39 75.29 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.928 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' O ' HG22 ' A' ' 27' ' ' ILE . 8.7 tt -60.84 -37.33 81.67 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.203 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.57 -31.39 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.466 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -63.63 -53.07 57.23 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.311 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 24' ' ' LEU . 18.4 tt -59.83 -31.25 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.217 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.37 -34.57 74.07 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.085 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.46 -38.32 86.81 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.793 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.09 90.36 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.646 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -60.77 -34.78 74.98 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.029 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -39.18 89.14 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.727 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.25 -36.72 78.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.782 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -60.13 -31.49 70.11 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.447 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.25 -37.24 82.4 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.804 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.26 79.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.405 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.09 72.09 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -57.05 -25.03 57.96 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -56.37 -25.65 50.26 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.88 -149.42 37.71 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.46 145.16 28.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.692 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.5 146.02 56.65 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.6 145.78 79.36 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.36 1.373 . . . . 0.0 111.779 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.14 145.73 33.73 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 t -56.27 145.16 27.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.811 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.3 m80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.569 -179.724 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -57.39 -26.4 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.74 -25.83 60.96 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -26.51 62.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -70.32 -21.74 62.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.69 27.4 65.17 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.421 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -55.48 144.73 24.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.346 0.573 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 pt -56.32 147.59 47.05 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.778 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.47 148.76 41.53 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.46 1.44 . . . . 0.0 111.704 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -54.56 147.48 29.54 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.78 145.57 49.44 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.207 1.271 . . . . 0.0 112.962 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 15' ' ' ILE . 29.0 Cg_exo -57.35 -29.56 84.63 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 120.758 0.972 . . . . 0.0 111.937 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 t -59.37 -35.39 73.81 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.912 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 m -61.86 -40.78 96.52 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.335 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 12' ' ' PRO . 68.7 mt -59.77 -33.93 53.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.622 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.14 -35.06 74.44 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.866 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 25.2 tp -60.07 -36.6 77.71 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.773 174.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -37.32 82.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.019 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' A' ' 22' ' ' ILE . 9.4 mp -61.1 -31.5 71.18 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.12 -38.89 87.96 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.721 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.9 -40.48 93.26 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.359 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 19' ' ' LEU . 75.1 mt -59.71 -35.88 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.627 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 58.0 t80 -60.06 -35.06 74.32 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.51 177.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 27' ' ' ILE . 25.2 tp -60.26 -38.09 82.44 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.161 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 25' ' ' ILE . 3.1 mp -60.95 -32.66 53.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.595 172.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -64.22 -53.35 50.52 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.461 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 24' ' ' LEU . 18.7 tt -59.72 -31.27 46.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.959 -0.697 . . . . 0.0 111.371 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.19 -35.0 74.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.093 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.51 89.32 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.89 83.31 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.8 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.97 -37.3 79.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.128 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -40.31 93.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.578 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.16 -36.53 77.76 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.991 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.491 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 11.7 m95 -60.35 -31.15 70.04 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.477 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.78 -38.21 84.53 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.563 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.95 79.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.391 172.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.08 -30.28 69.12 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 176.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -56.95 -25.49 57.84 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.11 -24.81 56.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.94 163.88 39.52 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -57.07 144.74 33.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.425 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -56.68 -29.45 6.0 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -56.13 144.8 79.05 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 CA-C-N 121.309 1.503 . . . . 0.0 112.21 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.01 144.88 38.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -57.15 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.6 p80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.544 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -57.18 -26.04 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.301 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.56 -25.54 60.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.8 -26.78 62.42 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.16 -20.88 63.12 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.15 0.63 28.33 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 122.062 -0.399 . . . . 0.0 113.316 -176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.83 147.57 18.81 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.935 0.867 . . . . 0.0 110.291 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.7 pt -54.78 146.09 38.2 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.759 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.68 -24.9 57.15 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.244 1.296 . . . . 0.0 113.008 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -57.11 143.13 73.26 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.22 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -59.53 142.43 98.89 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 121.162 1.242 . . . . 0.0 111.905 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.83 -32.13 94.14 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 CA-C-N 119.723 0.937 . . . . 0.0 110.994 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.3 p -60.12 -33.09 71.65 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.325 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 p -61.37 -39.47 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.18 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -59.65 -35.11 57.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.514 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.47 -34.62 74.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.912 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.9 tp -59.88 -34.88 73.74 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.754 175.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.31 -35.64 76.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.971 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.832 HD12 HD12 ' A' ' 22' ' ' ILE . 18.5 tp -60.14 -33.76 72.6 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.059 -0.656 . . . . 0.0 111.018 173.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.51 -37.76 84.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 175.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.61 -39.15 87.1 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.428 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.832 HD12 HD12 ' A' ' 19' ' ' LEU . 79.7 mt -60.24 -34.97 59.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.656 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 51.0 t80 -60.13 -36.66 77.98 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.172 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -34.27 74.57 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.264 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.7 -33.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.82 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.71 -40.77 93.5 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.407 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.77 -33.88 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.916 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.15 -33.03 71.61 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.204 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.72 -38.68 85.9 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.456 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 t -59.82 -35.28 74.39 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.139 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.36 -39.27 86.59 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.384 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.35 -34.87 72.91 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.55 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.556 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -59.3 -31.32 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.207 172.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.66 82.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.24 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.93 -29.83 68.64 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 175.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -56.35 -25.47 49.35 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 m80 52.76 112.98 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.662 0.744 . . . . 0.0 112.138 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.19 -25.43 54.2 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.541 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.64 -25.22 52.76 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -56.08 145.81 53.26 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 119.241 -0.409 . . . . 0.0 110.627 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.57 144.81 72.85 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.261 1.307 . . . . 0.0 112.164 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.07 145.22 38.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.1 p -57.55 -24.78 58.06 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.657 -179.733 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 119.979 -0.058 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -57.92 -28.67 64.47 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.81 -27.96 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -23.45 52.63 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.7 -23.16 63.39 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.77 27.35 73.25 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -57.85 -23.4 52.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.5 mt -55.9 -27.58 3.4 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -165.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -55.99 147.5 63.18 Favored 'Trans proline' 0 N--CA 1.503 2.088 0 CA-C-N 123.303 2.216 . . . . 0.0 112.934 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -55.86 147.77 41.13 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.781 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.41 -27.97 61.19 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HA ' HD12 ' A' ' 15' ' ' ILE . 52.9 Cg_exo -56.6 -30.1 81.83 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 122.389 1.889 . . . . 0.0 112.2 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 p -59.86 -36.24 76.46 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.754 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -61.18 -38.4 86.38 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.733 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 12' ' ' PRO . 71.6 mt -59.79 -34.26 55.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.474 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.61 -35.33 75.86 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.934 -0.707 . . . . 0.0 110.895 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 71.2 mt -60.39 -35.42 75.71 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.981 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.66 -35.11 75.42 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.932 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.829 HD12 HD12 ' A' ' 22' ' ' ILE . 21.8 tp -60.15 -33.02 71.6 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.148 173.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.24 -38.49 86.84 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.791 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.8 m -60.86 -40.87 94.54 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.402 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.829 HD12 HD12 ' A' ' 19' ' ' LEU . 81.2 mt -60.1 -34.74 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.78 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 59.5 t80 -59.7 -34.58 73.09 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.096 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -60.06 -37.43 79.85 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.742 174.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.63 -32.8 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.163 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -63.01 -49.49 74.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.698 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 24' ' ' LEU . 17.5 tt -60.04 -31.32 47.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.211 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.39 -35.12 75.01 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.057 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.33 -38.57 89.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.95 0.405 . . . . 0.0 111.006 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.21 88.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.826 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -59.93 -37.87 80.72 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.0 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.08 -40.18 92.72 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.77 -36.07 75.93 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.924 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -59.59 -32.51 70.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.322 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.35 -39.73 94.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.95 174.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.52 81.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.631 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.01 93.5 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.272 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -58.52 -26.01 63.03 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -57.39 145.5 32.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.01 0.433 . . . . 0.0 111.416 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.15 149.1 31.7 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -55.94 145.0 26.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 0.0 110.576 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.42 -28.01 4.01 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -56.01 144.74 77.93 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 CA-C-N 121.922 1.722 . . . . 0.0 112.215 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.24 145.82 37.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.4 p -56.79 145.74 28.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.65 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.523 -179.784 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -57.42 -26.11 60.63 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.07 -26.32 60.19 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -57.58 -24.04 54.09 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -69.96 -22.99 63.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.1 -9.04 61.6 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.614 174.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.32 144.29 30.99 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.187 0.994 . . . . 0.0 110.526 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 9' ' ' PRO . 2.7 pp -57.01 145.75 63.32 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.293 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' O ' HD12 ' A' ' 8' ' ' ILE . 19.7 Cg_endo -57.39 144.49 91.38 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.236 1.291 . . . . 0.0 111.509 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -56.86 146.15 59.9 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 118.943 -0.551 . . . . 0.0 109.946 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 143.8 74.55 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 120.82 1.013 . . . . 0.0 111.005 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.663 ' O ' HG22 ' A' ' 15' ' ' ILE . 18.4 Cg_endo -58.7 -31.66 95.31 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.778 0.986 . . . . 0.0 112.159 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -60.38 -35.43 75.69 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.144 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.2 m -62.66 -46.45 88.11 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.147 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 12' ' ' PRO . 18.5 tt -60.44 -30.24 46.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.377 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.76 -34.67 73.28 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.75 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 80.9 mt -59.83 -33.94 72.42 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.901 174.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -60.07 -33.99 72.83 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.964 174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.33 -34.19 72.05 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.702 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.51 -38.3 86.86 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.849 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.45 -37.22 80.28 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.753 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.11 -34.85 58.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.738 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.32 -34.93 72.93 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.818 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.25 -38.27 86.08 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 pt -61.57 -30.18 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.071 -1.052 . . . . 0.0 112.002 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.75 -57.32 5.26 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.538 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.32 -30.59 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.28 -34.46 73.78 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.321 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.32 94.72 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.589 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.56 88.44 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.985 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 p -61.18 -34.54 75.22 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.336 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.87 -40.4 92.84 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.296 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 mm? -60.27 -34.63 74.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.02 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 64.0 t-105 -59.34 -31.41 69.16 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.262 173.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.33 -37.49 80.77 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.587 174.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.78 -36.72 79.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.131 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -56.98 -25.85 58.9 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -57.19 -25.75 59.51 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -30.95 59.97 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.11 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.81 141.9 47.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.13 0.465 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -58.09 145.6 72.52 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.747 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB2' HG22 ' A' ' 45' ' ' THR . 35.8 Cg_exo -55.91 143.79 80.64 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.078 1.185 . . . . 0.0 111.38 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.33 59.96 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.241 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 43' ' ' PRO . 4.8 t -57.29 145.51 31.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.07 0.435 . . . . 0.0 110.995 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.1 t60 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.365 177.568 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -57.76 -25.13 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.43 -27.18 62.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.79 -24.8 58.96 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.11 -20.93 63.16 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.9 27.26 73.3 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.387 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.88 -24.62 53.2 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.8 mt -56.12 143.51 63.18 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.838 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -56.77 143.53 90.16 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.169 1.246 . . . . 0.0 112.6 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -142.21 66.13 19.6 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.751 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.22 -30.12 78.68 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 N-CA-C 115.84 1.439 . . . . 0.0 115.84 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.61 -33.42 96.58 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 CA-C-N 121.577 1.599 . . . . 0.0 111.566 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -60.17 -35.09 74.56 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.062 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 t -63.32 -48.85 76.29 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.738 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 pt -60.22 -32.69 51.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.045 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.61 -35.41 76.08 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.89 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 18.5 tp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.04 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.83 -34.99 73.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.739 175.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 19' ' ' LEU . 6.5 tt -59.66 -34.06 72.35 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.611 171.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.39 -36.55 80.6 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.935 174.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.01 -38.08 81.62 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.406 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.61 -35.4 59.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.357 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 47.4 t80 -59.97 -34.49 73.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.063 174.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 tp -59.77 -34.73 73.37 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.199 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.69 -33.23 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.581 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.6 -39.59 88.7 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.621 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 44.1 mm -59.68 -33.74 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.859 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.8 -33.92 72.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.863 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.93 -37.33 81.95 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.639 173.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.38 -37.27 80.25 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.869 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -59.69 -37.08 77.84 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.896 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -39.57 89.29 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.364 175.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.77 -34.9 73.59 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.985 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.5 -32.19 70.06 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.392 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.31 -39.34 90.13 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.475 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.26 78.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.749 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.19 72.13 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -57.03 -26.46 60.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.8 -26.25 61.69 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.58 138.22 48.5 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.562 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -58.3 -26.39 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -56.26 145.91 54.7 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.122 -174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.47 146.81 72.37 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.378 1.385 . . . . 0.0 111.798 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.48 145.91 30.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.2 m -56.41 144.31 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.55 -179.714 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -57.29 -25.82 59.87 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.351 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.2 mp -57.61 -25.63 60.35 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.0 tp -57.59 -26.65 61.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.32 -20.28 63.01 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.52 27.32 72.76 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.12 -176.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -54.94 144.54 22.73 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.161 0.505 . . . . 0.0 111.518 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.64 -24.4 1.48 Allowed Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.89 -20.21 43.17 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 CA-C-N 123.265 2.202 . . . . 0.0 114.318 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HE1' HD23 ' A' ' 3' ' ' LEU . 31.1 t80 -56.71 -26.01 2.28 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 118.823 2.898 . . . . 0.0 118.823 -169.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.51 -26.62 55.29 Favored 'Trans proline' 0 N--CA 1.512 2.563 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HA ' HD12 ' A' ' 15' ' ' ILE . 51.4 Cg_exo -56.71 -27.79 72.55 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 CA-C-N 122.544 1.944 . . . . 0.0 112.094 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -58.75 -37.1 75.49 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.596 175.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -61.25 -39.4 90.2 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.64 173.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 12' ' ' PRO . 68.2 mt -59.65 -33.22 51.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.571 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.25 -35.01 74.53 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.779 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 72.1 mt -60.16 -35.69 75.9 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.765 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -60.91 -34.05 74.08 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.109 174.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD12 HD12 ' A' ' 22' ' ' ILE . 16.3 tp -59.71 -33.43 71.6 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.972 174.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.33 -38.87 88.43 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.711 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.56 -39.42 87.91 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.413 176.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.834 HD12 HD12 ' A' ' 19' ' ' LEU . 78.2 mt -60.15 -33.47 53.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.767 176.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 54.5 t80 -59.29 -35.07 73.08 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.902 175.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 27' ' ' ILE . 24.4 tp -60.39 -36.04 77.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.259 173.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.52 -31.64 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.017 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -62.3 -49.2 76.6 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.359 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 24' ' ' LEU . 19.6 tt -60.38 -30.85 47.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.333 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -33.93 73.15 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.09 -37.28 82.19 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.662 173.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.26 -37.54 80.75 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.682 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -36.25 76.14 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.971 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.38 -38.96 85.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.441 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.7 -35.37 74.37 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.762 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.524 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 41.2 t90 -59.56 -31.52 69.51 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.365 173.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.74 -38.25 84.51 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.511 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.76 78.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 172.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.82 -29.65 68.39 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -56.41 -25.41 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.21 144.77 33.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.447 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.24 143.61 40.9 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -57.21 145.29 32.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -56.26 -28.42 4.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.95 144.74 88.17 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 CA-C-N 122.177 1.813 . . . . 0.0 112.26 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.62 56.71 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.268 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 m -56.8 -26.32 57.68 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.271 0.536 . . . . 0.0 112.135 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.501 -179.682 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -57.64 -26.11 61.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.3 mp -57.24 -24.37 54.25 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.16 -24.62 55.55 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.2 -21.67 63.01 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.65 -5.27 60.08 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 120.871 -0.68 . . . . 0.0 114.315 169.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -20.64 54.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 8' ' ' ILE . 3.5 mp -54.87 -27.99 3.59 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -164.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.96 145.74 90.06 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 CA-C-N 123.172 2.169 . . . . 0.0 111.65 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -56.35 145.18 59.15 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-O 119.223 -0.418 . . . . 0.0 110.476 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.96 145.88 82.8 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.179 1.252 . . . . 0.0 112.198 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.25 -30.86 88.98 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 120.545 0.83 . . . . 0.0 111.457 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 m -59.19 -35.19 73.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.864 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 t -60.7 -39.24 87.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.467 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.74 -35.04 57.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.522 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.82 -35.06 75.55 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.921 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 68.3 mt -60.33 -34.12 73.38 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.833 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.42 -35.05 74.88 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.849 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.03 -33.67 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.692 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.56 -37.68 84.71 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -60.43 -37.41 80.82 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.487 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.51 -35.91 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.603 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 52.0 t80 -59.89 -35.19 74.32 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.849 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 24' ' ' LEU . 5.4 tt -60.06 -35.06 74.31 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.032 175.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.75 -33.31 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.806 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -61.03 -42.25 98.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.246 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.78 -33.84 53.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.752 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.23 -33.72 72.66 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.212 176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.79 91.75 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.507 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.87 92.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.865 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.354 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.94 -40.94 95.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.337 177.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.91 -36.73 77.62 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.999 -0.681 . . . . 0.0 110.78 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -59.91 -31.71 70.08 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.511 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.63 -39.93 93.05 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.892 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.11 92.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.349 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.5 -34.01 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -57.6 -24.98 59.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -56.78 141.17 45.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.136 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.3 145.43 48.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.14 -24.63 63.18 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 166.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -56.69 -26.83 2.82 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 117.725 2.491 . . . . 0.0 117.725 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.26 146.32 61.39 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 CA-C-N 123.089 2.139 . . . . 0.0 112.582 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.55 47.15 92.6 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -57.74 144.52 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.618 0.247 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.655 178.912 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -56.79 144.8 31.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.687 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -57.25 -27.01 61.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.002 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.94 -26.1 61.81 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.09 -23.19 63.01 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 27.11 73.25 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.296 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.66 144.25 32.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.355 0.578 . . . . 0.0 110.538 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.01 144.1 69.72 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.104 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.53 146.44 84.04 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 121.447 1.431 . . . . 0.0 112.05 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -56.12 146.36 50.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.187 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -54.71 143.03 71.64 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 120.933 1.088 . . . . 0.0 111.469 -174.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.77 -32.09 93.91 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 120.612 0.875 . . . . 0.0 111.824 -177.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -60.15 -36.23 77.09 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.041 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.4 t -62.08 -41.56 98.3 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.414 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.6 -35.27 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.724 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 HD12 HD12 ' A' ' 19' ' ' LEU . 13.1 tp -60.69 -36.72 79.48 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.077 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.6 -36.85 79.58 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.209 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.23 -38.41 86.54 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.981 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.61 HD12 HD12 ' A' ' 16' ' ' LEU . 80.8 mt -61.41 -33.68 74.1 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.664 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.82 98.61 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -61.5 -42.23 98.49 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.0 -36.41 67.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.574 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.2 t80 -60.34 -35.35 75.45 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.13 -37.16 79.22 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.13 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.13 -34.88 58.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.77 173.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -62.18 -40.53 96.35 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.961 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.76 -35.64 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.6 mp -60.71 -35.07 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.2 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.63 -38.87 91.96 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.014 175.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.02 89.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.8 t -60.27 -39.05 85.45 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.913 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -40.09 93.41 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.562 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.7 -35.26 74.14 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.01 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -59.54 -32.96 70.8 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.352 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.82 -40.41 95.18 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.462 175.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -35.46 79.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.831 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.14 73.8 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -25.84 60.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.235 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -57.56 145.27 34.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.966 0.412 . . . . 0.0 111.696 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.68 -169.68 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.067 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.82 146.19 27.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.322 -0.439 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -56.03 146.6 48.84 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.78 145.94 58.26 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.319 1.346 . . . . 0.0 112.207 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.72 47.92 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -57.12 -26.45 60.51 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.432 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -56.59 145.84 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.0 -25.81 59.15 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.036 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.56 -24.77 58.02 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.2 -22.17 62.96 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.62 -8.63 13.47 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.583 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -56.97 -26.84 60.65 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.168 0.984 . . . . 0.0 111.858 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.01 144.16 69.53 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 118.999 -0.524 . . . . 0.0 109.677 176.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.1 145.38 75.95 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.292 1.328 . . . . 0.0 111.358 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.8 -26.69 2.81 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.69 -28.66 67.23 Favored 'Trans proline' 0 N--CA 1.508 2.379 0 CA-C-N 123.461 2.272 . . . . 0.0 117.594 -168.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.58 -30.88 90.11 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 CA-C-N 122.336 1.87 . . . . 0.0 111.584 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -59.81 -34.65 73.33 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.943 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -61.1 -39.18 88.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.516 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.85 -35.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.567 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.99 -34.42 74.77 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.919 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.0 tp -59.82 -34.44 73.07 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.886 174.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.99 -34.7 73.69 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.854 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.99 -33.04 71.43 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.842 172.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.83 -36.25 80.62 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.975 172.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.68 -46.01 90.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.947 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.09 -31.69 50.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 119.17 -1.012 . . . . 0.0 111.118 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.533 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.9 t80 -59.58 -34.94 73.35 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.026 173.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.15 -34.2 73.23 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.186 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.53 -32.29 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.894 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.36 -40.91 92.44 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.331 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.3 mt -59.89 -33.23 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.743 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.79 -33.19 71.4 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.76 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.47 -37.16 80.14 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.509 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.68 -38.1 83.81 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.903 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 p -60.58 -34.48 74.25 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.95 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.67 -39.17 87.41 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.433 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.98 -36.55 77.4 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.998 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.505 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 82.4 m95 -60.18 -31.06 69.77 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.437 173.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.69 -37.56 82.03 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.581 174.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.2 79.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 172.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.77 -30.44 68.88 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 175.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -56.57 -24.7 49.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -56.41 -24.94 48.24 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.07 145.45 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -57.31 -24.68 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -55.98 144.79 56.97 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.77 -174.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -57.58 -24.22 60.99 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.421 1.414 . . . . 0.0 113.141 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.65 140.8 40.14 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.521 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -58.1 -26.47 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.5 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.578 -176.668 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -57.58 -26.27 61.22 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.21 -24.49 54.89 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.0 tp -57.29 -25.77 59.79 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -69.92 -22.31 63.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.84 -5.54 23.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.482 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.5 -26.04 53.17 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.069 0.935 . . . . 0.0 112.071 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 tt -56.84 143.78 69.12 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-O 119.08 -0.486 . . . . 0.0 110.135 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.54 146.05 85.95 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.476 1.451 . . . . 0.0 112.419 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 42.75 58.23 11.24 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.46 146.66 61.87 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.428 1.418 . . . . 0.0 111.923 -175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.68 -28.15 74.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.717 0.945 . . . . 0.0 111.77 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -59.2 -35.42 73.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.902 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.6 m -61.39 -40.4 94.23 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 173.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.79 -33.48 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.651 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.32 -34.23 73.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.763 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.3 tp -59.71 -35.25 74.12 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.725 174.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.9 tp -60.55 -34.51 74.25 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.063 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.99 -32.18 70.6 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.966 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.79 -37.87 83.39 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.3 m -60.32 -38.11 82.72 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.574 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.26 -33.26 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.801 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 57.3 t80 -59.89 -37.06 78.29 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.389 -0.924 . . . . 0.0 110.887 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 27' ' ' ILE . 9.1 mp -62.4 -40.13 95.49 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 pt -62.24 -29.13 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.543 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -61.89 -46.87 87.48 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.742 177.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.657 HG22 ' O ' ' A' ' 24' ' ' LEU . 20.2 tt -60.67 -30.43 46.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.424 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -33.8 72.32 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.771 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.57 -35.67 76.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.96 0.41 . . . . 0.0 110.76 171.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.8 -36.59 77.07 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.669 176.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.15 -36.58 75.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.696 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.39 -37.94 82.39 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.508 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.8 tp -59.65 -34.45 72.84 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.038 177.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 18.7 t90 -59.12 -32.24 69.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.102 173.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.64 -38.06 83.56 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.411 172.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -61.44 -33.57 73.94 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.77 172.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.9 -31.3 69.68 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 176.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -56.84 -25.66 56.71 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -57.26 -24.72 56.64 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.52 -26.14 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.562 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -56.55 144.73 30.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.49 0.645 . . . . 0.0 110.726 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -56.58 146.07 57.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.31 145.23 79.06 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.237 1.291 . . . . 0.0 111.641 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 144.33 36.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.14 144.61 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 0.0 110.651 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.394 179.432 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -57.03 146.03 28.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.54 HD23 HG21 ' A' ' 8' ' ' ILE . 81.3 mt -57.48 -24.75 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.3 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.71 -25.79 60.83 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.28 -22.63 62.83 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.39 -9.0 22.89 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.461 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' OE1' HD13 ' A' ' 18' ' ' LEU . 83.5 tt0 -58.17 -24.52 59.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.988 0.894 . . . . 0.0 112.765 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.54 HG21 HD23 ' A' ' 3' ' ' LEU . 2.9 pp -55.76 -26.63 2.52 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -164.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' ILE . 34.4 Cg_exo -58.06 141.1 96.12 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 CA-C-N 123.334 2.227 . . . . 0.0 111.648 177.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -57.71 -29.28 5.78 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 116.949 2.204 . . . . 0.0 116.949 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -56.43 143.02 88.55 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 CA-C-N 122.563 1.951 . . . . 0.0 113.264 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.38 -29.64 88.86 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 120.753 0.969 . . . . 0.0 111.612 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -59.07 -33.23 70.56 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.014 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -61.17 -40.91 95.66 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.164 174.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.84 -34.41 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.59 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.75 -33.61 73.2 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.996 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.7 tp -59.56 -34.88 73.25 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.596 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD13 ' OE1' ' A' ' 7' ' ' GLU . 24.5 tp -60.32 -34.67 74.14 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.87 173.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.75 -32.15 70.3 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.736 172.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.94 -37.26 81.72 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.642 174.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.3 m -60.24 -38.23 82.79 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.238 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.94 -33.8 54.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.683 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.585 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 47.0 t80 -59.6 -34.42 72.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.803 174.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.87 -35.41 74.74 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.046 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.02 -31.95 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.737 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -60.83 -38.54 85.83 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.616 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 45.6 mm -59.85 -35.88 63.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.797 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -60.92 -32.84 72.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.857 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.86 -35.08 75.68 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.731 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.0 -37.15 78.86 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.644 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -59.44 -36.94 76.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.494 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.78 -37.47 81.98 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.575 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.0 tp -59.71 -34.8 73.38 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.953 177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -59.22 -32.53 70.05 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.118 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.99 -37.92 84.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.498 172.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -61.58 -35.15 77.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.619 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.72 71.32 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -56.94 -26.47 59.55 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -57.83 145.34 35.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.945 0.402 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.09 148.23 33.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 175.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.53 -23.52 58.4 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -56.28 -27.19 3.05 Favored Pre-proline 0 CA--C 1.546 0.799 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 -167.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.62 146.41 76.24 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 CA-C-N 123.027 2.117 . . . . 0.0 112.742 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.32 52.74 0.67 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 t -57.58 -25.42 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.3 t60 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.957 -179.117 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -56.57 144.73 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 111.03 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.52 -24.07 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.51 -26.98 62.14 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.26 -28.21 65.05 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.953 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.15 -9.22 1.65 Allowed Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.592 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.82 140.16 55.46 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.825 1.313 . . . . 0.0 110.217 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.4 143.61 85.33 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.966 173.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.21 142.07 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 120.986 1.124 . . . . 0.0 110.72 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.37 141.81 82.54 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.253 174.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -59.19 -37.6 90.88 Favored 'Trans proline' 0 N--CA 1.501 1.916 0 CA-C-N 120.272 1.133 . . . . 0.0 114.725 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.67 -33.05 96.13 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.845 1.03 . . . . 0.0 113.141 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' HD12 ' A' ' 16' ' ' LEU . 29.1 p -60.59 -33.71 73.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 119.757 -0.777 . . . . 0.0 111.04 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.5 p -66.34 -52.22 49.24 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.892 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.86 -32.26 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.1 mt -60.75 -34.89 75.13 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.262 174.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 26.7 tp -60.03 -35.93 76.18 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.871 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.43 -36.17 77.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.931 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.621 HD12 HD11 ' A' ' 22' ' ' ILE . 12.7 tp -60.5 -33.82 73.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.2 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.215 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.9 m -63.31 -48.51 77.77 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.832 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 19' ' ' LEU . 41.9 pt -60.83 -32.39 51.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.341 -0.943 . . . . 0.0 111.236 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 61.2 t80 -59.88 -35.56 75.09 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.106 174.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.45 -34.69 74.35 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.399 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.77 -33.84 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.763 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -61.36 -41.0 96.36 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.461 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.5 mt -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.777 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.04 -33.86 72.61 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.082 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.13 -38.48 86.54 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.541 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.74 -37.32 81.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m -59.76 -36.64 77.07 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.102 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.7 -39.87 90.11 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.358 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.71 -35.24 74.12 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.905 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 62.6 t-105 -59.57 -31.97 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.318 174.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.06 -38.49 86.4 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.531 174.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.81 78.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.23 -32.21 70.91 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -57.0 -25.64 58.81 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -56.97 145.24 30.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.226 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.99 177.4 0.4 Allowed Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.857 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -56.58 145.89 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.347 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -55.82 146.36 47.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.396 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.08 144.96 66.74 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.222 1.281 . . . . 0.0 112.244 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.73 146.45 34.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.7 p -57.22 -24.75 56.74 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.3 m80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.57 179.667 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 t -57.34 -26.54 61.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.25 -25.41 59.12 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.5 -27.1 62.23 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.25 -24.07 63.01 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.67 22.59 71.83 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.501 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.79 -25.17 60.18 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.423 0.612 . . . . 0.0 112.548 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 pt -56.1 144.24 60.21 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.593 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -58.03 -26.36 74.8 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 121.245 1.296 . . . . 0.0 112.976 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.28 143.93 72.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 119.116 -0.468 . . . . 0.0 110.671 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.72 144.24 98.17 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.206 1.271 . . . . 0.0 111.215 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.18 -32.65 96.24 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 CA-C-N 119.595 0.891 . . . . 0.0 111.393 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -59.97 -36.17 76.57 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.979 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.0 m -61.21 -38.66 87.4 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.734 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.43 -34.34 54.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.402 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.49 -36.77 79.11 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.531 175.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 73.7 mt -60.63 -35.52 76.38 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.979 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.63 -35.46 76.21 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.032 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -60.01 -34.32 73.19 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.105 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.36 -39.93 92.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 110.536 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.64 -37.69 82.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.795 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' HA ' HD12 ' A' ' 25' ' ' ILE . 45.8 mm -60.17 -36.07 65.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 120.064 -0.654 . . . . 0.0 110.836 178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -60.53 -37.14 80.23 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.298 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.9 mp -61.79 -35.77 79.15 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.598 174.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.9 mt -60.64 -32.44 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.406 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.92 21.41 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.199 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.28 -31.65 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.25 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.38 -34.79 74.4 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.326 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.09 90.83 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.768 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.16 88.58 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.797 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.12 -37.03 78.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.263 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.5 -41.21 96.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.455 178.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -36.38 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.976 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.458 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 78.3 m95 -60.35 -31.35 70.24 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.576 173.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.07 -38.84 87.63 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.516 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.71 79.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.454 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.88 -31.1 69.48 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -56.67 -26.27 55.93 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -57.73 146.17 32.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.737 0.303 . . . . 0.0 110.673 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.22 147.89 30.14 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -56.27 -26.91 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt 31.37 58.27 1.09 Allowed Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -54.2 144.86 57.31 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.195 1.263 . . . . 0.0 111.75 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 144.69 35.98 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.3 m -57.18 144.51 34.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.613 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -59.82 -34.93 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.588 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.23 -33.65 72.56 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.075 173.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.31 -37.39 83.06 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.852 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.21 83.84 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.679 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -59.73 -37.14 78.11 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.917 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -38.84 86.62 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.614 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.81 -35.13 74.05 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.916 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -59.56 -32.07 70.01 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.347 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.0 -38.91 87.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.535 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.722 173.434 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -34.31 55.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.788 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.06 -32.89 71.36 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.076 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.5 -36.98 79.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.713 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.09 82.39 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.68 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -59.4 -36.09 75.19 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.953 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.14 -37.62 80.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.667 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.77 -34.76 73.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.982 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -59.32 -32.07 69.73 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.144 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.4 -38.65 87.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.822 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.38 174.376 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.924 0.393 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.54 -34.72 55.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.843 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.18 -33.52 72.32 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.109 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.05 -37.72 83.64 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.828 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.52 84.09 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.621 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 t -59.61 -36.07 75.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.022 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.49 -37.41 80.98 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.66 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -36.85 77.05 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.534 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.0 -32.02 70.47 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.215 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -35.88 79.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.048 173.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.484 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.648 0.261 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.67 -35.4 59.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.701 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -34.11 73.35 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.146 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.52 -38.27 86.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.898 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.28 84.55 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.732 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -59.69 -37.5 79.0 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.007 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.3 -40.54 94.56 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.574 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.05 -36.62 77.72 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.999 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.1 -31.97 70.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.58 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.47 -39.82 92.27 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.637 176.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.435 174.81 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.08 -35.36 60.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.86 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.5 -31.29 70.35 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.156 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.71 -36.75 77.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.751 174.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.67 83.29 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.564 175.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -59.41 -34.68 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.888 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -59.93 -36.61 77.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.721 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 79.1 mt -59.55 -34.58 72.86 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.936 -0.705 . . . . 0.0 110.88 176.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.22 -32.1 69.64 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.207 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.98 -35.68 77.45 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.756 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.221 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.291 173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.76 -35.36 59.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.551 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.49 -32.89 71.86 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.918 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.89 -37.08 80.97 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.698 173.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.81 84.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.767 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 p -60.43 -34.15 73.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.893 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.19 -39.49 90.36 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.6 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 mm? -60.33 -36.19 77.4 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.906 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -59.98 -31.31 69.78 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 119.904 -0.718 . . . . 0.0 111.438 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.23 81.32 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.574 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.373 173.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.407 0.146 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.83 -31.25 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.217 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.37 -34.57 74.07 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.085 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.46 -38.32 86.81 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.793 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.09 90.36 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.646 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -60.77 -34.78 74.98 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.029 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -39.18 89.14 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.727 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.25 -36.72 78.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.782 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -60.13 -31.49 70.11 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.447 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.25 -37.24 82.4 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.804 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.405 174.598 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.587 0.232 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.72 -31.27 46.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.959 -0.697 . . . . 0.0 111.371 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.19 -35.0 74.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.093 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.51 89.32 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.89 83.31 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.8 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.97 -37.3 79.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.128 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -40.31 93.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.578 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.16 -36.53 77.76 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.991 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -60.35 -31.15 70.04 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.477 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.78 -38.21 84.53 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.563 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.391 172.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.953 0.406 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.77 -33.88 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.916 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.15 -33.03 71.61 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.204 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.72 -38.68 85.9 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.456 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 t -59.82 -35.28 74.39 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.139 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.36 -39.27 86.59 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.384 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.35 -34.87 72.91 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.55 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -31.32 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.207 172.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.66 82.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.24 171.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.262 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.04 -31.32 47.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.211 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.39 -35.12 75.01 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.057 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.33 -38.57 89.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.95 0.405 . . . . 0.0 111.006 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.21 88.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.826 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -59.93 -37.87 80.72 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.0 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.08 -40.18 92.72 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.77 -36.07 75.93 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.924 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -59.59 -32.51 70.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.322 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.35 -39.73 94.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.95 174.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.631 177.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.421 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.32 -30.59 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.28 -34.46 73.78 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.321 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.32 94.72 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.589 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.56 88.44 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.985 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 p -61.18 -34.54 75.22 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.336 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.87 -40.4 92.84 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.296 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 mm? -60.27 -34.63 74.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.02 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -59.34 -31.41 69.16 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.262 173.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.33 -37.49 80.77 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.587 174.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.214 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.131 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 44.1 mm -59.68 -33.74 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.859 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.8 -33.92 72.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.863 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.93 -37.33 81.95 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.639 173.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.38 -37.27 80.25 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.869 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -59.69 -37.08 77.84 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.896 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -39.57 89.29 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.364 175.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.77 -34.9 73.59 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.985 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.5 -32.19 70.06 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.392 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.31 -39.34 90.13 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.475 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.749 173.827 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.236 0.348 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 19.6 tt -60.38 -30.85 47.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.333 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -33.93 73.15 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.09 -37.28 82.19 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.662 173.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.26 -37.54 80.75 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.682 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -36.25 76.14 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.971 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.38 -38.96 85.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.441 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.7 -35.37 74.37 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.762 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -59.56 -31.52 69.51 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.365 173.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.74 -38.25 84.51 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.511 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 172.198 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.318 0 CA-C-O 121.07 0.462 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.78 -33.84 53.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.752 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.23 -33.72 72.66 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.212 176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.79 91.75 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.507 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.87 92.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.865 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.354 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.94 -40.94 95.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.337 177.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.91 -36.73 77.62 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.999 -0.681 . . . . 0.0 110.78 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -59.91 -31.71 70.08 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.511 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.63 -39.93 93.05 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.892 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.349 176.138 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.553 0.216 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.76 -35.64 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.6 mp -60.71 -35.07 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.2 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.63 -38.87 91.96 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.014 175.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.02 89.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.8 t -60.27 -39.05 85.45 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.913 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -40.09 93.41 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.562 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.7 -35.26 74.14 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.01 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -59.54 -32.96 70.8 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.352 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.82 -40.41 95.18 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.462 175.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.831 174.639 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.3 mt -59.89 -33.23 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.743 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.79 -33.19 71.4 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.76 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.47 -37.16 80.14 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.509 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.68 -38.1 83.81 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.903 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 p -60.58 -34.48 74.25 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.95 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.67 -39.17 87.41 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.433 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.98 -36.55 77.4 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.998 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -60.18 -31.06 69.77 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.437 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.69 -37.56 82.03 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.581 174.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 172.85 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.235 0.297 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 20.2 tt -60.67 -30.43 46.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.424 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -33.8 72.32 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.771 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.57 -35.67 76.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.96 0.41 . . . . 0.0 110.76 171.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.8 -36.59 77.07 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.669 176.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.15 -36.58 75.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.696 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.39 -37.94 82.39 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.508 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.8 tp -59.65 -34.45 72.84 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.038 177.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -59.12 -32.24 69.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.102 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.64 -38.06 83.56 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.411 172.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.77 172.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.553 0.216 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 45.6 mm -59.85 -35.88 63.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.797 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -60.92 -32.84 72.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.857 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.86 -35.08 75.68 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.731 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.0 -37.15 78.86 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.644 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -59.44 -36.94 76.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.494 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.78 -37.47 81.98 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.575 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.0 tp -59.71 -34.8 73.38 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.953 177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -59.22 -32.53 70.05 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.118 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.99 -37.92 84.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.498 172.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.619 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.5 mt -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.777 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.04 -33.86 72.61 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.082 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.13 -38.48 86.54 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.541 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.74 -37.32 81.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m -59.76 -36.64 77.07 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.102 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.7 -39.87 90.11 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.358 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.71 -35.24 74.12 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.905 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -59.57 -31.97 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.318 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.06 -38.49 86.4 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.531 174.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 173.337 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.396 0 CA-C-O 120.52 0.2 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.28 -31.65 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.25 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.38 -34.79 74.4 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.326 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.09 90.83 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.768 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.16 88.58 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.797 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.12 -37.03 78.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.263 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.5 -41.21 96.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.455 178.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -36.38 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.976 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -60.35 -31.35 70.24 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.576 173.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.07 -38.84 87.63 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.516 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.454 173.002 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -56.15 146.06 24.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.364 . . . . 0.0 110.894 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.2 mp -57.33 -24.74 57.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.406 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -57.44 -27.27 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.22 -24.03 63.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.36 -6.6 61.42 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.454 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -56.82 -26.9 59.18 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.151 0.975 . . . . 0.0 112.101 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.7 tt -57.24 143.93 71.7 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.933 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.1 144.29 90.56 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.21 1.273 . . . . 0.0 111.687 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -56.77 144.96 64.58 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 119.089 -0.481 . . . . 0.0 110.398 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.94 146.12 88.29 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.18 1.254 . . . . 0.0 111.499 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' HG22 ' A' ' 15' ' ' ILE . 36.7 Cg_exo -57.53 -31.55 91.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 120.599 0.866 . . . . 0.0 111.528 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.9 m -60.01 -34.7 73.69 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.371 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 t -63.52 -50.22 70.43 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.055 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 12' ' ' PRO . 18.4 tt -60.24 -31.13 47.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.273 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.791 HD12 HD12 ' A' ' 19' ' ' LEU . 36.0 tp -60.56 -36.39 78.37 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.828 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.8 tp -60.61 -36.49 78.72 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.971 175.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.18 -36.34 79.6 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.015 -0.674 . . . . 0.0 111.084 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.791 HD12 HD12 ' A' ' 16' ' ' LEU . 83.2 mt -61.01 -32.41 72.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.315 173.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.47 -38.84 88.74 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.468 . . . . 0.0 110.68 174.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -60.64 -38.83 86.12 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.476 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.03 -34.8 57.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.824 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 53.6 t80 -60.14 -36.82 78.38 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.115 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 27' ' ' ILE . 4.4 mm? -60.89 -36.38 79.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.95 175.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.39 -32.41 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.975 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -60.81 -40.93 94.54 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.504 176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 24' ' ' LEU . 76.5 mt -59.82 -34.93 57.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.588 177.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.23 -33.65 72.56 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.075 173.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.31 -37.39 83.06 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.852 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.21 83.84 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.679 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -59.73 -37.14 78.11 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.917 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -38.84 86.62 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.614 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.81 -35.13 74.05 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.916 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.416 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 59.9 t-105 -59.56 -32.07 70.01 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.347 173.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.0 -38.91 87.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.535 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.85 77.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.722 173.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.37 -32.04 70.91 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -57.34 -25.23 59.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -57.18 -24.34 53.78 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.28 -25.15 39.41 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.682 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.34 144.12 31.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.625 0.713 . . . . 0.0 110.724 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -56.86 145.45 63.24 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.578 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.91 -24.75 66.3 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.322 1.348 . . . . 0.0 112.696 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.72 144.96 37.18 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.2 p -57.07 145.94 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.541 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.538 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -57.26 144.76 34.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.471 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt -57.1 -24.03 51.16 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.215 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -22.71 39.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.66 -23.04 63.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.83 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.1 -0.57 46.02 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-O 119.152 -0.804 . . . . 0.0 114.484 166.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -56.23 142.72 36.33 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.584 1.192 . . . . 0.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG22 ' H ' ' A' ' 10' ' ' PHE . 66.4 mt -57.93 141.04 81.4 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.349 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.51 -27.73 83.21 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 121.341 1.361 . . . . 0.0 113.904 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' H ' HG22 ' A' ' 8' ' ' ILE . 51.6 m-85 -57.61 145.58 68.85 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.195 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.72 -28.62 76.65 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 N-CA-C 118.126 2.318 . . . . 0.0 118.126 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.56 -31.32 91.32 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 CA-C-N 122.443 1.908 . . . . 0.0 112.124 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -60.13 -34.96 74.25 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.999 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -60.25 -37.78 81.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.83 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.33 -34.1 53.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.472 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -60.21 -35.01 74.45 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.6 tp -60.07 -34.51 73.54 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.043 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.56 -36.41 78.41 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.096 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 19' ' ' LEU . 8.9 mp -60.74 -32.65 71.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.363 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.11 -39.67 90.88 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 110.786 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -60.27 -39.62 87.47 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.492 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.0 -33.37 52.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.967 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.497 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 53.5 t80 -59.33 -35.11 73.23 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.799 HD12 HD12 ' A' ' 27' ' ' ILE . 26.9 tp -59.75 -36.66 77.1 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.071 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.28 -31.72 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.1 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -59.89 -41.39 91.51 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.525 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.799 HD12 HD12 ' A' ' 24' ' ' LEU . 81.7 mt -59.94 -34.31 55.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.788 176.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.06 -32.89 71.36 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.076 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.5 -36.98 79.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.713 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.09 82.39 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.68 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -59.4 -36.09 75.19 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.953 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.14 -37.62 80.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.667 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.77 -34.76 73.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.982 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.1 t90 -59.32 -32.07 69.73 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.129 -0.628 . . . . 0.0 111.144 172.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.4 -38.65 87.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.822 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.95 76.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.38 174.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.41 -33.3 72.31 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -57.35 -24.46 55.32 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -56.83 -26.77 58.97 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.85 -32.04 65.43 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.078 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -57.71 145.53 34.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 111.138 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -56.66 145.02 63.2 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.819 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -55.56 145.43 69.62 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 121.185 1.257 . . . . 0.0 111.896 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.06 -26.7 49.74 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.379 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -56.85 144.12 34.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.3 0.55 . . . . 0.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.615 -179.477 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -57.0 146.95 25.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.743 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.1 mp -57.14 -24.35 53.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.241 179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.09 -25.28 58.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -69.89 -23.05 63.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 27.09 73.25 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.95 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.53 -25.14 64.25 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.0 -27.87 3.98 Favored Pre-proline 0 CA--C 1.55 0.979 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -168.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -25.17 54.29 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 123.521 2.293 . . . . 0.0 113.141 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -57.36 143.66 73.29 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.156 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.69 144.01 98.22 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.197 1.264 . . . . 0.0 111.824 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.06 -31.49 93.19 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.607 0.895 . . . . 0.0 111.329 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -59.67 -35.16 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.01 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.9 p -61.21 -37.77 84.18 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.529 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.467 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.42 -34.6 74.19 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.8 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.2 tp -59.91 -34.22 72.91 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.015 175.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.9 mt -59.94 -34.59 73.45 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.89 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.91 -33.41 71.83 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.994 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.01 -37.87 84.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.161 0.505 . . . . 0.0 110.824 174.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.1 t -60.47 -38.66 84.94 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.653 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.87 -36.33 65.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.788 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 74.1 m-85 -60.38 -34.0 73.27 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.498 175.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -34.43 73.22 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.146 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.0 mm -59.66 -33.17 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.003 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.51 -39.97 89.7 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.588 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.54 -34.72 55.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.843 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.18 -33.52 72.32 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.109 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.05 -37.72 83.64 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.828 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.52 84.09 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.621 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 t -59.61 -36.07 75.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.022 175.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.49 -37.41 80.98 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.66 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -59.58 -36.85 77.05 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.534 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -60.0 -32.02 70.47 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.215 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -35.88 79.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.048 173.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.81 -36.31 78.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.484 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.84 89.23 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.434 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -58.56 -25.04 62.11 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.4 143.84 33.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 111.398 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 176.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.22 -28.2 62.67 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.949 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.67 144.19 73.82 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.218 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -59.15 -25.59 78.62 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.243 1.295 . . . . 0.0 112.621 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.16 144.4 42.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.931 -0.467 . . . . 0.0 111.931 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.9 p -57.72 146.87 29.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.448 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.451 -179.613 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -57.37 -25.89 60.17 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt -56.95 -25.25 57.44 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.26 -26.21 60.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -70.07 -23.9 63.15 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.52 -7.48 8.66 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.753 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.56 143.11 36.83 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.305 1.052 . . . . 0.0 110.568 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.67 144.18 73.84 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-O 119.192 -0.432 . . . . 0.0 110.117 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.23 145.62 92.22 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 121.392 1.395 . . . . 0.0 111.867 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -56.67 145.58 60.59 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.103 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.93 143.19 83.19 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.021 1.147 . . . . 0.0 111.839 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -58.63 -31.6 95.02 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 120.775 0.983 . . . . 0.0 111.65 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.4 p -60.54 -33.67 73.0 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.406 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -65.0 -52.04 58.35 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.814 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 pt -60.0 -30.82 46.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.489 -0.885 . . . . 0.0 111.176 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 16' ' ' LEU . 8.7 tt -60.11 -35.61 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.845 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 28.3 tp -59.9 -36.48 77.06 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.93 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.89 -35.34 76.37 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.05 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 22' ' ' ILE . 64.9 mt -60.58 -33.22 72.39 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.265 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.17 -37.8 86.6 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.188 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.81 -48.13 80.44 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.763 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 25' ' ' ILE . 3.2 tp -60.65 -31.68 49.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.193 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 65.0 t80 -59.79 -35.67 75.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.321 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.12 -37.34 79.75 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.126 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 22' ' ' ILE . 78.8 mt -60.58 -32.28 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.095 172.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.67 -39.43 88.38 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.647 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.67 -35.4 59.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.701 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -34.11 73.35 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.146 173.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.52 -38.27 86.79 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.898 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.28 84.55 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.732 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -59.69 -37.5 79.0 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.007 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.3 -40.54 94.56 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.574 177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.05 -36.62 77.72 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.999 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -60.1 -31.97 70.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.58 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.47 -39.82 92.27 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.637 176.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.43 86.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.435 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.54 -31.24 70.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -56.81 -27.15 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -58.99 141.58 53.51 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.566 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.23 -32.92 82.41 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.778 172.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' OE1' HG21 ' A' ' 45' ' ' THR . 95.2 mt-30 -58.05 146.31 33.35 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 111.594 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -56.32 146.89 50.52 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.99 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.96 -24.58 57.99 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 121.321 1.347 . . . . 0.0 112.837 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.13 -29.05 59.23 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.369 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.464 HG21 ' OE1' ' A' ' 41' ' ' GLN . 33.8 m -57.44 144.9 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.961 0.38 . . . . 0.0 110.801 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.64 179.006 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -56.82 146.72 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.2 -24.81 56.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.147 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.27 -24.91 57.94 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -69.95 -25.86 63.84 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.682 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.97 -9.28 3.0 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 118.921 -0.933 . . . . 0.0 114.819 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.85 142.61 45.33 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.897 1.348 . . . . 0.0 110.737 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 pt -57.9 146.22 68.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.458 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.51 147.33 69.88 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.147 1.231 . . . . 0.0 110.222 172.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.72 144.47 55.6 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.654 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.27 -29.78 77.66 Favored 'Trans proline' 0 N--CA 1.503 2.087 0 N-CA-C 117.561 2.1 . . . . 0.0 117.561 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.51 -31.35 85.9 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 CA-C-N 121.995 1.748 . . . . 0.0 112.564 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.2 p -60.05 -35.72 75.74 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.837 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -60.71 -37.59 82.22 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.76 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.44 -31.8 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.841 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.67 -35.63 74.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.571 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.0 tp -59.8 -33.55 71.88 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.888 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.43 -34.2 72.2 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.626 175.343 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.43 -33.37 71.17 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.08 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.68 -39.24 87.7 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.49 0.662 . . . . 0.0 110.593 174.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 m -60.36 -35.42 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.751 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 25' ' ' ILE . 45.3 mm -59.03 -33.02 49.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.647 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 67.1 t80 -58.92 -35.63 73.4 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.991 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.14 -33.84 72.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.321 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.448 HD12 HG23 ' A' ' 22' ' ' ILE . 61.0 mt -59.68 -30.48 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.855 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -59.52 -41.16 89.35 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.276 173.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -60.08 -35.36 60.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.86 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.5 -31.29 70.35 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.156 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.71 -36.75 77.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.751 174.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.67 83.29 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.564 175.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -59.41 -34.68 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.888 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -59.93 -36.61 77.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.721 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 79.1 mt -59.55 -34.58 72.86 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.936 -0.705 . . . . 0.0 110.88 176.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.433 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 63.0 t-105 -59.22 -32.1 69.64 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.207 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.98 -35.68 77.45 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.756 173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.51 -35.61 76.37 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.291 173.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.42 -34.06 73.41 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -57.13 -25.92 59.66 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -56.99 140.36 49.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.01 144.24 47.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -57.28 -28.91 63.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.435 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.78 146.74 65.47 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.344 173.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.15 -24.91 61.27 Favored 'Trans proline' 0 N--CA 1.498 1.759 0 C-N-CA 121.084 1.189 . . . . 0.0 112.298 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 146.96 34.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -56.9 -24.66 53.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.473 -178.335 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.4 ptt85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -56.89 -25.07 56.22 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.1 tp -57.38 -26.67 61.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.23 -26.12 62.5 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.1 -24.14 63.16 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.55 -9.19 71.89 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 119.637 -0.535 . . . . 0.0 113.375 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.71 143.63 41.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 118.121 0.961 . . . . 0.0 110.265 175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 15' ' ' ILE . 36.2 pt -57.46 144.94 70.31 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.169 176.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.08 141.7 96.5 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 120.93 1.087 . . . . 0.0 110.823 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.56 -30.47 7.91 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.35 139.49 90.78 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 CA-C-N 122.352 1.876 . . . . 0.0 112.699 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.05 -33.62 95.23 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 CA-C-N 119.736 0.942 . . . . 0.0 111.27 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -59.64 -34.15 72.45 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 m -61.47 -39.97 92.83 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.593 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 8' ' ' ILE . 79.3 mt -59.85 -36.23 65.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.417 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 16' ' ' LEU . 9.0 mp -61.45 -33.67 74.13 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 119.879 -0.728 . . . . 0.0 111.261 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 64.2 mt -59.89 -34.34 73.03 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.738 175.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.3 -35.19 75.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.803 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 tp -59.97 -33.05 71.42 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.812 172.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.97 -37.73 83.47 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.695 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.93 -38.17 81.62 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.559 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.19 -33.98 55.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.913 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 57.5 t80 -60.39 -37.59 81.28 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.939 175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 24' ' ' LEU . 9.6 mp -62.18 -40.81 97.28 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 pt -62.18 -29.75 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.617 174.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -60.33 -39.87 88.59 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.441 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.76 -35.36 59.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.551 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.49 -32.89 71.86 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.918 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.89 -37.08 80.97 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.698 173.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.81 84.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.767 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 p -60.43 -34.15 73.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.893 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.19 -39.49 90.36 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.6 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.5 mm? -60.33 -36.19 77.4 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.906 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.474 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 84.8 m95 -59.98 -31.31 69.78 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 119.904 -0.718 . . . . 0.0 111.438 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.23 81.32 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.574 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -61.46 -35.88 78.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.373 173.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.12 -31.74 70.34 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 175.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -56.93 -25.67 58.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -57.03 143.86 36.61 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.72 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.93 144.48 44.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -57.09 -26.58 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -56.66 146.65 55.35 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.321 178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -55.74 145.75 69.9 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.316 1.344 . . . . 0.0 111.569 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -26.41 54.1 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.622 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.4 m -56.88 -26.64 59.24 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.28 0.54 . . . . 0.0 112.143 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.5 t60 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.664 179.702 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -57.81 -25.76 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.12 -26.25 60.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.71 -25.96 61.08 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.22 -24.39 63.09 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.66 27.12 73.06 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.308 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.59 -26.77 61.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.308 0.554 . . . . 0.0 112.117 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.2 mt -57.28 143.78 72.43 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-O 119.062 -0.494 . . . . 0.0 109.864 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.0 144.34 94.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.282 1.321 . . . . 0.0 112.373 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -56.99 146.97 57.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 119.07 -0.491 . . . . 0.0 110.08 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.0 144.33 68.9 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.039 1.159 . . . . 0.0 111.132 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.79 -31.29 91.92 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 120.583 0.855 . . . . 0.0 111.959 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -60.45 -37.26 80.4 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.951 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -62.6 -38.79 91.55 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.526 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.7 -34.18 54.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.845 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.26 -36.53 78.0 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.838 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -60.67 -37.22 80.86 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.584 175.438 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.02 -33.71 73.69 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.273 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.89 -35.49 74.94 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.001 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.47 97.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.129 0.49 . . . . 0.0 111.107 175.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.7 m -63.32 -47.49 82.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 pt -60.93 -31.79 50.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 119.844 -0.742 . . . . 0.0 111.313 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.2 -36.39 75.29 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.928 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' O ' HG22 ' A' ' 27' ' ' ILE . 8.7 tt -60.84 -37.33 81.67 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.203 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.57 -31.39 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.466 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -63.63 -53.07 57.23 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.311 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 24' ' ' LEU . 18.4 tt -59.83 -31.25 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.217 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.37 -34.57 74.07 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.085 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.46 -38.32 86.81 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.793 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.09 90.36 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.646 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -60.77 -34.78 74.98 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.029 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -39.18 89.14 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.727 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.25 -36.72 78.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.782 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -60.13 -31.49 70.11 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.447 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.25 -37.24 82.4 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.804 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.26 79.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.405 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.09 72.09 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -57.05 -25.03 57.96 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -56.37 -25.65 50.26 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.88 -149.42 37.71 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -56.46 145.16 28.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.692 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.5 146.02 56.65 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.6 145.78 79.36 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.36 1.373 . . . . 0.0 111.779 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.14 145.73 33.73 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 t -56.27 145.16 27.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.811 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.3 m80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.569 -179.724 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -57.39 -26.4 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.74 -25.83 60.96 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -26.51 62.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -70.32 -21.74 62.89 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.69 27.4 65.17 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.421 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -55.48 144.73 24.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.346 0.573 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 pt -56.32 147.59 47.05 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.778 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.47 148.76 41.53 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.46 1.44 . . . . 0.0 111.704 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -54.56 147.48 29.54 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.78 145.57 49.44 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.207 1.271 . . . . 0.0 112.962 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 15' ' ' ILE . 29.0 Cg_exo -57.35 -29.56 84.63 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 120.758 0.972 . . . . 0.0 111.937 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 t -59.37 -35.39 73.81 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.912 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 m -61.86 -40.78 96.52 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.335 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 12' ' ' PRO . 68.7 mt -59.77 -33.93 53.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.622 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.14 -35.06 74.44 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.866 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 25.2 tp -60.07 -36.6 77.71 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.773 174.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -37.32 82.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.019 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' A' ' 22' ' ' ILE . 9.4 mp -61.1 -31.5 71.18 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.12 -38.89 87.96 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.721 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.9 -40.48 93.26 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.359 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 19' ' ' LEU . 75.1 mt -59.71 -35.88 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.627 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 58.0 t80 -60.06 -35.06 74.32 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.51 177.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 27' ' ' ILE . 25.2 tp -60.26 -38.09 82.44 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.161 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 25' ' ' ILE . 3.1 mp -60.95 -32.66 53.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.595 172.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -64.22 -53.35 50.52 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.461 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 24' ' ' LEU . 18.7 tt -59.72 -31.27 46.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 119.959 -0.697 . . . . 0.0 111.371 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.19 -35.0 74.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.093 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.51 89.32 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.89 83.31 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.8 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.97 -37.3 79.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.128 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.16 -40.31 93.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.578 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.16 -36.53 77.76 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.991 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.491 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 11.7 m95 -60.35 -31.15 70.04 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.477 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.78 -38.21 84.53 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.563 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.95 79.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.391 172.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.08 -30.28 69.12 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 176.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -56.95 -25.49 57.84 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -57.11 -24.81 56.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.94 163.88 39.52 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -57.07 144.74 33.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.425 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -56.68 -29.45 6.0 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -56.13 144.8 79.05 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 CA-C-N 121.309 1.503 . . . . 0.0 112.21 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.01 144.88 38.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -57.15 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.6 p80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.544 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -57.18 -26.04 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.301 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.56 -25.54 60.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.8 -26.78 62.42 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.16 -20.88 63.12 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.15 0.63 28.33 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 122.062 -0.399 . . . . 0.0 113.316 -176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -55.83 147.57 18.81 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.935 0.867 . . . . 0.0 110.291 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.7 pt -54.78 146.09 38.2 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.759 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.68 -24.9 57.15 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.244 1.296 . . . . 0.0 113.008 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -57.11 143.13 73.26 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.22 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -59.53 142.43 98.89 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 121.162 1.242 . . . . 0.0 111.905 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.83 -32.13 94.14 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 CA-C-N 119.723 0.937 . . . . 0.0 110.994 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.3 p -60.12 -33.09 71.65 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.325 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 p -61.37 -39.47 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.18 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -59.65 -35.11 57.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.514 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.47 -34.62 74.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.912 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.9 tp -59.88 -34.88 73.74 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.754 175.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.31 -35.64 76.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.971 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.832 HD12 HD12 ' A' ' 22' ' ' ILE . 18.5 tp -60.14 -33.76 72.6 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.059 -0.656 . . . . 0.0 111.018 173.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.51 -37.76 84.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 175.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.61 -39.15 87.1 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.428 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.832 HD12 HD12 ' A' ' 19' ' ' LEU . 79.7 mt -60.24 -34.97 59.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.656 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 51.0 t80 -60.13 -36.66 77.98 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.172 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -34.27 74.57 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.264 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.7 -33.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.82 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.71 -40.77 93.5 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.407 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.77 -33.88 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.916 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.15 -33.03 71.61 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.204 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.72 -38.68 85.9 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.456 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.89 83.21 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 t -59.82 -35.28 74.39 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.139 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.36 -39.27 86.59 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.384 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.35 -34.87 72.91 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.55 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.556 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -59.3 -31.32 69.03 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.207 172.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.83 -37.66 82.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.87 78.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.24 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.93 -29.83 68.64 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 175.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -56.35 -25.47 49.35 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 m80 52.76 112.98 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.662 0.744 . . . . 0.0 112.138 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.19 -25.43 54.2 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.541 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.64 -25.22 52.76 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -56.08 145.81 53.26 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 119.241 -0.409 . . . . 0.0 110.627 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.57 144.81 72.85 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.261 1.307 . . . . 0.0 112.164 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.07 145.22 38.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.1 p -57.55 -24.78 58.06 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.657 -179.733 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 119.979 -0.058 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -57.92 -28.67 64.47 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.81 -27.96 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -23.45 52.63 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.7 -23.16 63.39 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.77 27.35 73.25 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -57.85 -23.4 52.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.5 mt -55.9 -27.58 3.4 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -165.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -55.99 147.5 63.18 Favored 'Trans proline' 0 N--CA 1.503 2.088 0 CA-C-N 123.303 2.216 . . . . 0.0 112.934 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -55.86 147.77 41.13 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.781 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.41 -27.97 61.19 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 N-CA-C 117.092 1.92 . . . . 0.0 117.092 -175.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HA ' HD12 ' A' ' 15' ' ' ILE . 52.9 Cg_exo -56.6 -30.1 81.83 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 CA-C-N 122.389 1.889 . . . . 0.0 112.2 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 p -59.86 -36.24 76.46 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.754 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -61.18 -38.4 86.38 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.733 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 12' ' ' PRO . 71.6 mt -59.79 -34.26 55.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.474 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.61 -35.33 75.86 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.934 -0.707 . . . . 0.0 110.895 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 71.2 mt -60.39 -35.42 75.71 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.981 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.66 -35.11 75.42 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.932 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.829 HD12 HD12 ' A' ' 22' ' ' ILE . 21.8 tp -60.15 -33.02 71.6 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.148 173.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.24 -38.49 86.84 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.791 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.8 m -60.86 -40.87 94.54 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.402 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.829 HD12 HD12 ' A' ' 19' ' ' LEU . 81.2 mt -60.1 -34.74 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.78 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 59.5 t80 -59.7 -34.58 73.09 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.096 176.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -60.06 -37.43 79.85 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.742 174.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.63 -32.8 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.163 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -63.01 -49.49 74.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.698 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 24' ' ' LEU . 17.5 tt -60.04 -31.32 47.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.691 -0.804 . . . . 0.0 111.211 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.39 -35.12 75.01 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.057 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.33 -38.57 89.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.95 0.405 . . . . 0.0 111.006 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.21 88.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.826 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -59.93 -37.87 80.72 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.0 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.08 -40.18 92.72 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.77 -36.07 75.93 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.924 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -59.59 -32.51 70.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.322 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.35 -39.73 94.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.95 174.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.52 81.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.631 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.01 93.5 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.272 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -58.52 -26.01 63.03 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -57.39 145.5 32.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.01 0.433 . . . . 0.0 111.416 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.15 149.1 31.7 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -55.94 145.0 26.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 0.0 110.576 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.42 -28.01 4.01 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -56.01 144.74 77.93 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 CA-C-N 121.922 1.722 . . . . 0.0 112.215 171.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.24 145.82 37.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.4 p -56.79 145.74 28.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.65 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.523 -179.784 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -57.42 -26.11 60.63 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.07 -26.32 60.19 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -57.58 -24.04 54.09 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -69.96 -22.99 63.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.1 -9.04 61.6 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.614 174.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.32 144.29 30.99 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.187 0.994 . . . . 0.0 110.526 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 9' ' ' PRO . 2.7 pp -57.01 145.75 63.32 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.293 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' O ' HD12 ' A' ' 8' ' ' ILE . 19.7 Cg_endo -57.39 144.49 91.38 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.236 1.291 . . . . 0.0 111.509 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -56.86 146.15 59.9 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 118.943 -0.551 . . . . 0.0 109.946 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 143.8 74.55 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 120.82 1.013 . . . . 0.0 111.005 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.663 ' O ' HG22 ' A' ' 15' ' ' ILE . 18.4 Cg_endo -58.7 -31.66 95.31 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.778 0.986 . . . . 0.0 112.159 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -60.38 -35.43 75.69 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.144 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.2 m -62.66 -46.45 88.11 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.147 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 12' ' ' PRO . 18.5 tt -60.44 -30.24 46.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.377 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.76 -34.67 73.28 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.75 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 80.9 mt -59.83 -33.94 72.42 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.901 174.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -60.07 -33.99 72.83 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.964 174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.33 -34.19 72.05 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.702 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.51 -38.3 86.86 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.849 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.45 -37.22 80.28 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.753 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.11 -34.85 58.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.738 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.32 -34.93 72.93 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.818 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.25 -38.27 86.08 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 pt -61.57 -30.18 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 119.071 -1.052 . . . . 0.0 112.002 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.75 -57.32 5.26 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.538 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.32 -30.59 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.28 -34.46 73.78 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.321 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.32 94.72 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.589 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.56 88.44 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.985 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 p -61.18 -34.54 75.22 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.336 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.87 -40.4 92.84 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.296 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 mm? -60.27 -34.63 74.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.02 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.486 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 64.0 t-105 -59.34 -31.41 69.16 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.262 173.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.33 -37.49 80.77 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.587 174.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.78 -36.72 79.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.131 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -56.98 -25.85 58.9 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -57.19 -25.75 59.51 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -30.95 59.97 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.11 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.81 141.9 47.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.13 0.465 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -58.09 145.6 72.52 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.747 171.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.55 ' HB2' HG22 ' A' ' 45' ' ' THR . 35.8 Cg_exo -55.91 143.79 80.64 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.078 1.185 . . . . 0.0 111.38 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.33 59.96 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.241 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 43' ' ' PRO . 4.8 t -57.29 145.51 31.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.07 0.435 . . . . 0.0 110.995 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.1 t60 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.365 177.568 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -57.76 -25.13 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.43 -27.18 62.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.79 -24.8 58.96 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.11 -20.93 63.16 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.9 27.26 73.3 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.387 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.88 -24.62 53.2 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.8 mt -56.12 143.51 63.18 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.838 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -56.77 143.53 90.16 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.169 1.246 . . . . 0.0 112.6 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -142.21 66.13 19.6 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.751 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.22 -30.12 78.68 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 N-CA-C 115.84 1.439 . . . . 0.0 115.84 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -57.61 -33.42 96.58 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 CA-C-N 121.577 1.599 . . . . 0.0 111.566 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -60.17 -35.09 74.56 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.062 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 t -63.32 -48.85 76.29 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.738 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 pt -60.22 -32.69 51.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.045 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.61 -35.41 76.08 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.89 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 18.5 tp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.04 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.83 -34.99 73.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.739 175.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 19' ' ' LEU . 6.5 tt -59.66 -34.06 72.35 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.611 171.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.39 -36.55 80.6 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.935 174.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.01 -38.08 81.62 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.406 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.61 -35.4 59.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.357 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 47.4 t80 -59.97 -34.49 73.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.063 174.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 tp -59.77 -34.73 73.37 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.199 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.69 -33.23 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.581 172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.6 -39.59 88.7 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.621 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 44.1 mm -59.68 -33.74 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.859 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.8 -33.92 72.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.863 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.93 -37.33 81.95 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.639 173.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.38 -37.27 80.25 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.869 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -59.69 -37.08 77.84 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.896 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.77 -39.57 89.29 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.364 175.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.77 -34.9 73.59 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.985 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.5 -32.19 70.06 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.392 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.31 -39.34 90.13 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.475 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.26 78.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.749 173.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.19 72.13 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -57.03 -26.46 60.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.8 -26.25 61.69 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.58 138.22 48.5 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.562 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -58.3 -26.39 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -56.26 145.91 54.7 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.122 -174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.47 146.81 72.37 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.378 1.385 . . . . 0.0 111.798 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.48 145.91 30.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.2 m -56.41 144.31 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.55 -179.714 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -57.29 -25.82 59.87 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.351 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.2 mp -57.61 -25.63 60.35 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.0 tp -57.59 -26.65 61.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.32 -20.28 63.01 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.52 27.32 72.76 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.12 -176.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -54.94 144.54 22.73 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.161 0.505 . . . . 0.0 111.518 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.64 -24.4 1.48 Allowed Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -174.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.89 -20.21 43.17 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 CA-C-N 123.265 2.202 . . . . 0.0 114.318 175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HE1' HD23 ' A' ' 3' ' ' LEU . 31.1 t80 -56.71 -26.01 2.28 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 118.823 2.898 . . . . 0.0 118.823 -169.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.51 -26.62 55.29 Favored 'Trans proline' 0 N--CA 1.512 2.563 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HA ' HD12 ' A' ' 15' ' ' ILE . 51.4 Cg_exo -56.71 -27.79 72.55 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 CA-C-N 122.544 1.944 . . . . 0.0 112.094 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -58.75 -37.1 75.49 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.596 175.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -61.25 -39.4 90.2 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.64 173.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 12' ' ' PRO . 68.2 mt -59.65 -33.22 51.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.571 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.25 -35.01 74.53 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.779 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 72.1 mt -60.16 -35.69 75.9 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.765 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -60.91 -34.05 74.08 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 119.963 -0.695 . . . . 0.0 111.109 174.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD12 HD12 ' A' ' 22' ' ' ILE . 16.3 tp -59.71 -33.43 71.6 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.972 174.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.33 -38.87 88.43 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.711 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.56 -39.42 87.91 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.413 176.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.834 HD12 HD12 ' A' ' 19' ' ' LEU . 78.2 mt -60.15 -33.47 53.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.767 176.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 54.5 t80 -59.29 -35.07 73.08 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.902 175.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 27' ' ' ILE . 24.4 tp -60.39 -36.04 77.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.259 173.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.52 -31.64 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.017 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -62.3 -49.2 76.6 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.359 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 24' ' ' LEU . 19.6 tt -60.38 -30.85 47.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 119.635 -0.826 . . . . 0.0 111.333 177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -33.93 73.15 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.09 -37.28 82.19 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.662 173.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.26 -37.54 80.75 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.682 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -36.25 76.14 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.971 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.38 -38.96 85.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.441 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -59.7 -35.37 74.37 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.762 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.524 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 41.2 t90 -59.56 -31.52 69.51 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.365 173.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.74 -38.25 84.51 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.511 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.76 78.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 172.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.82 -29.65 68.39 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -56.41 -25.41 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.21 144.77 33.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.447 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.24 143.61 40.9 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -57.21 145.29 32.08 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -56.26 -28.42 4.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.95 144.74 88.17 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 CA-C-N 122.177 1.813 . . . . 0.0 112.26 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.31 -26.62 56.71 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.268 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 m -56.8 -26.32 57.68 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.271 0.536 . . . . 0.0 112.135 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.501 -179.682 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -57.64 -26.11 61.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.3 mp -57.24 -24.37 54.25 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.16 -24.62 55.55 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.2 -21.67 63.01 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.65 -5.27 60.08 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 120.871 -0.68 . . . . 0.0 114.315 169.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -20.64 54.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 8' ' ' ILE . 3.5 mp -54.87 -27.99 3.59 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -164.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.96 145.74 90.06 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 CA-C-N 123.172 2.169 . . . . 0.0 111.65 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -56.35 145.18 59.15 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-O 119.223 -0.418 . . . . 0.0 110.476 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.96 145.88 82.8 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.179 1.252 . . . . 0.0 112.198 -176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.25 -30.86 88.98 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 120.545 0.83 . . . . 0.0 111.457 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 m -59.19 -35.19 73.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.864 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 t -60.7 -39.24 87.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.467 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.74 -35.04 57.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.522 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.82 -35.06 75.55 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.921 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 68.3 mt -60.33 -34.12 73.38 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.833 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.42 -35.05 74.88 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.849 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.03 -33.67 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.692 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.56 -37.68 84.71 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.6 m -60.43 -37.41 80.82 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.487 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.51 -35.91 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.603 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 52.0 t80 -59.89 -35.19 74.32 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.849 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 24' ' ' LEU . 5.4 tt -60.06 -35.06 74.31 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.032 175.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.75 -33.31 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.806 174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -61.03 -42.25 98.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.246 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.78 -33.84 53.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.752 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.23 -33.72 72.66 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.212 176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.79 91.75 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.507 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.87 92.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.865 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 p -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.354 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.94 -40.94 95.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.337 177.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.91 -36.73 77.62 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.999 -0.681 . . . . 0.0 110.78 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -59.91 -31.71 70.08 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.511 173.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.63 -39.93 93.05 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.892 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.11 92.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.349 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.5 -34.01 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -57.6 -24.98 59.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -56.78 141.17 45.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.089 0.471 . . . . 0.0 111.136 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.3 145.43 48.9 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.14 -24.63 63.18 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 166.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -56.69 -26.83 2.82 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 117.725 2.491 . . . . 0.0 117.725 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.26 146.32 61.39 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 CA-C-N 123.089 2.139 . . . . 0.0 112.582 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.55 47.15 92.6 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -57.74 144.52 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.618 0.247 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.655 178.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -56.79 144.8 31.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.687 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -57.25 -27.01 61.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.002 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.94 -26.1 61.81 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -70.09 -23.19 63.01 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 27.11 73.25 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.296 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.66 144.25 32.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.355 0.578 . . . . 0.0 110.538 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.01 144.1 69.72 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.104 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.53 146.44 84.04 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 121.447 1.431 . . . . 0.0 112.05 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -56.12 146.36 50.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.187 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -54.71 143.03 71.64 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 120.933 1.088 . . . . 0.0 111.469 -174.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.77 -32.09 93.91 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 120.612 0.875 . . . . 0.0 111.824 -177.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -60.15 -36.23 77.09 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.041 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.4 t -62.08 -41.56 98.3 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.414 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.6 -35.27 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.724 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 HD12 HD12 ' A' ' 19' ' ' LEU . 13.1 tp -60.69 -36.72 79.48 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.077 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.6 -36.85 79.58 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.209 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.23 -38.41 86.54 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.981 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.61 HD12 HD12 ' A' ' 16' ' ' LEU . 80.8 mt -61.41 -33.68 74.1 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.664 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.82 98.61 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -61.5 -42.23 98.49 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.0 -36.41 67.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.574 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.2 t80 -60.34 -35.35 75.45 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.13 -37.16 79.22 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.13 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.13 -34.88 58.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.77 173.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -62.18 -40.53 96.35 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.961 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.76 -35.64 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.6 mp -60.71 -35.07 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.2 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -62.63 -38.87 91.96 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.014 175.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.02 89.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.8 t -60.27 -39.05 85.45 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.913 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -40.09 93.41 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.562 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.7 -35.26 74.14 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.01 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -59.54 -32.96 70.8 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.352 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.82 -40.41 95.18 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.462 175.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -35.46 79.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.831 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.14 73.8 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -25.84 60.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.235 178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -57.56 145.27 34.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.966 0.412 . . . . 0.0 111.696 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.68 -169.68 51.99 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.067 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.82 146.19 27.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.322 -0.439 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -56.03 146.6 48.84 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.78 145.94 58.26 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.319 1.346 . . . . 0.0 112.207 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.72 47.92 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -57.12 -26.45 60.51 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.432 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -56.59 145.84 27.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.0 -25.81 59.15 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.036 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.56 -24.77 58.02 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.2 -22.17 62.96 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.62 -8.63 13.47 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 119.582 -0.566 . . . . 0.0 113.583 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -56.97 -26.84 60.65 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.168 0.984 . . . . 0.0 111.858 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.01 144.16 69.53 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 118.999 -0.524 . . . . 0.0 109.677 176.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.1 145.38 75.95 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 121.292 1.328 . . . . 0.0 111.358 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.8 -26.69 2.81 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.69 -28.66 67.23 Favored 'Trans proline' 0 N--CA 1.508 2.379 0 CA-C-N 123.461 2.272 . . . . 0.0 117.594 -168.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.58 -30.88 90.11 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 CA-C-N 122.336 1.87 . . . . 0.0 111.584 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -59.81 -34.65 73.33 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.943 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -61.1 -39.18 88.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.516 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.85 -35.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.567 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.99 -34.42 74.77 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.919 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.0 tp -59.82 -34.44 73.07 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.886 174.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -59.99 -34.7 73.69 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.854 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.99 -33.04 71.43 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.842 172.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.83 -36.25 80.62 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.975 172.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.68 -46.01 90.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.947 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.09 -31.69 50.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 119.17 -1.012 . . . . 0.0 111.118 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.533 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.9 t80 -59.58 -34.94 73.35 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.026 173.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.15 -34.2 73.23 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.186 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.53 -32.29 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.894 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -60.36 -40.91 92.44 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.331 173.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.3 mt -59.89 -33.23 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.743 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.79 -33.19 71.4 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.76 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.47 -37.16 80.14 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.509 172.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.68 -38.1 83.81 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.903 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 p -60.58 -34.48 74.25 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.95 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.67 -39.17 87.41 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.433 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.98 -36.55 77.4 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.998 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.505 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 82.4 m95 -60.18 -31.06 69.77 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.437 173.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.69 -37.56 82.03 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.581 174.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.2 79.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.259 172.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.77 -30.44 68.88 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 175.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -56.57 -24.7 49.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -56.41 -24.94 48.24 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.07 145.45 0.04 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -57.31 -24.68 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -55.98 144.79 56.97 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.77 -174.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -57.58 -24.22 60.99 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.421 1.414 . . . . 0.0 113.141 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.65 140.8 40.14 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.521 -173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -58.1 -26.47 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 71.5 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.578 -176.668 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -57.58 -26.27 61.22 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.21 -24.49 54.89 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.0 tp -57.29 -25.77 59.79 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -69.92 -22.31 63.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.84 -5.54 23.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.482 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.5 -26.04 53.17 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.069 0.935 . . . . 0.0 112.071 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 tt -56.84 143.78 69.12 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-O 119.08 -0.486 . . . . 0.0 110.135 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.54 146.05 85.95 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 121.476 1.451 . . . . 0.0 112.419 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 42.75 58.23 11.24 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.46 146.66 61.87 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.428 1.418 . . . . 0.0 111.923 -175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.68 -28.15 74.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.717 0.945 . . . . 0.0 111.77 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.2 p -59.2 -35.42 73.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.902 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.6 m -61.39 -40.4 94.23 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 173.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.79 -33.48 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.651 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.32 -34.23 73.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.763 176.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.3 tp -59.71 -35.25 74.12 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.725 174.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.9 tp -60.55 -34.51 74.25 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.063 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.99 -32.18 70.6 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.966 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.79 -37.87 83.39 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.3 m -60.32 -38.11 82.72 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.574 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.26 -33.26 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.801 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 57.3 t80 -59.89 -37.06 78.29 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.389 -0.924 . . . . 0.0 110.887 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 27' ' ' ILE . 9.1 mp -62.4 -40.13 95.49 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 pt -62.24 -29.13 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 119.061 -1.056 . . . . 0.0 111.543 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -61.89 -46.87 87.48 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.742 177.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.657 HG22 ' O ' ' A' ' 24' ' ' LEU . 20.2 tt -60.67 -30.43 46.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.424 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.89 -33.8 72.32 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.771 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.57 -35.67 76.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.96 0.41 . . . . 0.0 110.76 171.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.8 -36.59 77.07 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.669 176.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.15 -36.58 75.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.696 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.39 -37.94 82.39 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.508 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.8 tp -59.65 -34.45 72.84 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.038 177.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 18.7 t90 -59.12 -32.24 69.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.102 173.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.64 -38.06 83.56 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.411 172.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -61.44 -33.57 73.94 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.77 172.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.9 -31.3 69.68 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 176.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -56.84 -25.66 56.71 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -57.26 -24.72 56.64 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.52 -26.14 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.562 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -56.55 144.73 30.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.49 0.645 . . . . 0.0 110.726 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -56.58 146.07 57.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.31 145.23 79.06 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.237 1.291 . . . . 0.0 111.641 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 144.33 36.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.14 144.61 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 0.0 110.651 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.394 179.432 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -57.03 146.03 28.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.54 HD23 HG21 ' A' ' 8' ' ' ILE . 81.3 mt -57.48 -24.75 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.3 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.71 -25.79 60.83 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.28 -22.63 62.83 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.39 -9.0 22.89 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.698 -0.501 . . . . 0.0 113.461 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' OE1' HD13 ' A' ' 18' ' ' LEU . 83.5 tt0 -58.17 -24.52 59.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.988 0.894 . . . . 0.0 112.765 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.54 HG21 HD23 ' A' ' 3' ' ' LEU . 2.9 pp -55.76 -26.63 2.52 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -164.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' ILE . 34.4 Cg_exo -58.06 141.1 96.12 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 CA-C-N 123.334 2.227 . . . . 0.0 111.648 177.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -57.71 -29.28 5.78 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 116.949 2.204 . . . . 0.0 116.949 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -56.43 143.02 88.55 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 CA-C-N 122.563 1.951 . . . . 0.0 113.264 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.38 -29.64 88.86 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 120.753 0.969 . . . . 0.0 111.612 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -59.07 -33.23 70.56 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.014 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -61.17 -40.91 95.66 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.164 174.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.84 -34.41 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.59 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.75 -33.61 73.2 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.996 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.7 tp -59.56 -34.88 73.25 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.596 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD13 ' OE1' ' A' ' 7' ' ' GLU . 24.5 tp -60.32 -34.67 74.14 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.87 173.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.75 -32.15 70.3 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.736 172.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.94 -37.26 81.72 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.642 174.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.3 m -60.24 -38.23 82.79 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.238 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.94 -33.8 54.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.683 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.585 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 47.0 t80 -59.6 -34.42 72.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.803 174.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.87 -35.41 74.74 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.046 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.02 -31.95 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.737 171.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -60.83 -38.54 85.83 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.616 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 45.6 mm -59.85 -35.88 63.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.797 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -60.92 -32.84 72.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.857 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -60.86 -35.08 75.68 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.731 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.0 -37.15 78.86 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.644 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -59.44 -36.94 76.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.494 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.78 -37.47 81.98 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.575 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.0 tp -59.71 -34.8 73.38 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.953 177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -59.22 -32.53 70.05 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.118 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -60.99 -37.92 84.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.498 172.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -61.58 -35.15 77.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.619 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.72 71.32 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -56.94 -26.47 59.55 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.83 145.34 35.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.945 0.402 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.09 148.23 33.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 175.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.53 -23.52 58.4 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -56.28 -27.19 3.05 Favored Pre-proline 0 CA--C 1.546 0.799 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 -167.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.62 146.41 76.24 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 CA-C-N 123.027 2.117 . . . . 0.0 112.742 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.32 52.74 0.67 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 t -57.58 -25.42 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.3 t60 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.957 -179.117 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -56.57 144.73 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.004 0.43 . . . . 0.0 111.03 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.52 -24.07 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.51 -26.98 62.14 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.26 -28.21 65.05 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.953 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.15 -9.22 1.65 Allowed Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.592 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.82 140.16 55.46 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.825 1.313 . . . . 0.0 110.217 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -59.4 143.61 85.33 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.966 173.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.21 142.07 97.42 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 120.986 1.124 . . . . 0.0 110.72 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.37 141.81 82.54 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.253 174.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -59.19 -37.6 90.88 Favored 'Trans proline' 0 N--CA 1.501 1.916 0 CA-C-N 120.272 1.133 . . . . 0.0 114.725 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.67 -33.05 96.13 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.845 1.03 . . . . 0.0 113.141 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' HD12 ' A' ' 16' ' ' LEU . 29.1 p -60.59 -33.71 73.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 119.757 -0.777 . . . . 0.0 111.04 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.5 p -66.34 -52.22 49.24 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.892 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.86 -32.26 49.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 13' ' ' THR . 90.1 mt -60.75 -34.89 75.13 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.262 174.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 26.7 tp -60.03 -35.93 76.18 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.871 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.43 -36.17 77.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.931 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.621 HD12 HD11 ' A' ' 22' ' ' ILE . 12.7 tp -60.5 -33.82 73.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.2 173.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.215 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.9 m -63.31 -48.51 77.77 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.832 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 19' ' ' LEU . 41.9 pt -60.83 -32.39 51.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.341 -0.943 . . . . 0.0 111.236 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 61.2 t80 -59.88 -35.56 75.09 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.106 174.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.45 -34.69 74.35 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.399 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.77 -33.84 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.763 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 23' ' ' PHE . . . -61.36 -41.0 96.36 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.461 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.5 mt -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.777 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -60.04 -33.86 72.61 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.082 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -61.13 -38.48 86.54 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.541 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -60.74 -37.32 81.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m -59.76 -36.64 77.07 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.102 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.7 -39.87 90.11 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.358 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.71 -35.24 74.12 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.905 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 62.6 t-105 -59.57 -31.97 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.318 174.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.06 -38.49 86.4 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.531 174.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.81 78.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -60.23 -32.21 70.91 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -57.0 -25.64 58.81 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -56.97 145.24 30.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.226 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.99 177.4 0.4 Allowed Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.857 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -56.58 145.89 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.347 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -55.82 146.36 47.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.396 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.08 144.96 66.74 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.222 1.281 . . . . 0.0 112.244 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.73 146.45 34.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.7 p -57.22 -24.75 56.74 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.3 m80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.57 179.667 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 t -57.34 -26.54 61.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.25 -25.41 59.12 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.5 -27.1 62.23 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.25 -24.07 63.01 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.67 22.59 71.83 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.501 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -57.79 -25.17 60.18 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.423 0.612 . . . . 0.0 112.548 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 pt -56.1 144.24 60.21 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.593 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -58.03 -26.36 74.8 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 121.245 1.296 . . . . 0.0 112.976 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.28 143.93 72.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 119.116 -0.468 . . . . 0.0 110.671 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.72 144.24 98.17 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.206 1.271 . . . . 0.0 111.215 173.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.18 -32.65 96.24 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 CA-C-N 119.595 0.891 . . . . 0.0 111.393 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -59.97 -36.17 76.57 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.979 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.0 m -61.21 -38.66 87.4 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.734 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.43 -34.34 54.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.402 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.49 -36.77 79.11 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.531 175.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 73.7 mt -60.63 -35.52 76.38 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.979 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.63 -35.46 76.21 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.032 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -60.01 -34.32 73.19 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.105 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.36 -39.93 92.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 110.536 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.64 -37.69 82.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.795 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' HA ' HD12 ' A' ' 25' ' ' ILE . 45.8 mm -60.17 -36.07 65.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 120.064 -0.654 . . . . 0.0 110.836 178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -60.53 -37.14 80.23 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.298 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.9 mp -61.79 -35.77 79.15 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.598 174.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.9 mt -60.64 -32.44 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.406 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -54.92 21.41 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.199 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.28 -31.65 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.25 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -60.38 -34.79 74.4 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.326 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.09 90.83 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.768 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.16 88.58 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.797 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.12 -37.03 78.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.263 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.5 -41.21 96.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.455 178.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -36.38 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.976 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.458 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 78.3 m95 -60.35 -31.35 70.24 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.576 173.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.07 -38.84 87.63 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.516 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.71 79.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.454 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 34' ' ' TRP . . . -59.88 -31.1 69.48 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -56.67 -26.27 55.93 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -57.73 146.17 32.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.737 0.303 . . . . 0.0 110.673 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.22 147.89 30.14 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -56.27 -26.91 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt 31.37 58.27 1.09 Allowed Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -54.2 144.86 57.31 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.195 1.263 . . . . 0.0 111.75 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 144.69 35.98 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.3 m -57.18 144.51 34.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.613 179.654 . . . . . . . . 0 0 . 1 stop_ save_